Known targets — ChEMBL curated mechanism
ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 known ✓ | Q92731 | 1/20 | 0.33 |
| ▸ | CES2 | O00748 | 1/20 | 0.40 |
| ▸ | CES1 | P23141 | 1/20 | 0.40 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | NFE2L2 | Q16236 | 3/20 | 0.38 |
| ▸ | PARP1 | P09874 | 1/20 | 0.38 |
| ▸ | FBP1 | P09467 | 1/20 | 0.36 |
| ▸ | FAAH | O00519 | 1/20 | 0.35 |
| ▸ | MGLL | Q99685 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | THPO | P40225 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.34 |
| ▸ | GRM5 | P41594 | 1/20 | 0.34 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL10774703 | 0.85 | CA12 (0.30) | CYP3A4 | |
| SCHEMBL8100115 | 0.77 | CES2 (0.45) | CES2CES1ACHENFE2L2PARP1 | |
| SCHEMBL1584059 | 0.76 | CES2 (0.43) | CES2CES1ACHENFE2L2PARP1 | |
| SCHEMBL7514458 | 0.76 | FAAH (0.34) | FAAHMGLL | |
| SCHEMBL7515941 | 0.76 | ALDH1A1 (0.39) | PARP1MGLLMAPK1NPC1RAB9A | |
| SCHEMBL1466276 | 0.76 | TSHR (0.43) | PARP1FBP1MGLLCYP1A2CYP3A4 | |
| SCHEMBL1584999 | 0.76 | ACHE (0.46) | ACHEPARP1FBP1MGLLHDAC6 | |
| SCHEMBL1583683 | 0.75 | CES2 (0.36) | CES2CES1 | |
| SCHEMBL1584194 | 0.75 | CES2 (0.44) | CES2FBP1MGLLCYP1A2CYP3A4 | |
| SCHEMBL161233 | 0.73 | CA1 (0.41) | CES2CES1ACHEFBP1PKM |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114591208-B | Synthetic method of gamma-mercapto-beta-sulfonyl methyl butyrate | 成都理工大学 | 2023-02-10 | — | — | CN | claimed |
| US-11802110-B2 | 2-amino-N-(arylsulfinyl)-acetamide compounds as inhibitors of bacterial aminoacyl-tRNA synthetase | Oxford Drug Design Limited (GB) | 2023-10-31 | — | — | US | disclosed |
| CN-114591208-B | Synthetic method of gamma-mercapto-beta-sulfonyl methyl butyrate | 成都理工大学 | 2023-02-10 | — | — | CN | disclosed |
| CN-111233600-B | Synthetic method of aryl (chalcogen heteroaryl) methyl sulfone | 成都理工大学 | 2022-08-05 | — | — | CN | disclosed |
| CN-111233600-A | Synthetic method of aryl (chalcogen heteroaryl) methyl sulfone | 成都理工大学 | 2020-06-05 | — | — | CN | disclosed |
| CN-107540586-B | Preparation method of difluoromethyl substituted thioaryl sulfonate | 中国科学院上海有机化学研究所 | 2020-03-10 | — | — | CN | disclosed |
| US-20200039929-A1 | 2-AMINO-N-(ARYLSULFINYL)-ACETAMIDE COMPOUNDS AS INHIBITORS OF BACTERIAL AMINOACYL-TRNA SYNTHETASE | INHIBOX LIMITED (GB) | 2020-02-06 | — | — | US | disclosed |
| EP-3523282-A1 | 2-AMINO-N-(ARYLSULFINYL)-ACETAMIDE COMPOUNDS AS INHIBITORS OF BACTERIAL AMINOACYL-TRNA SYNTHETASE | Oxford Drug Design Limited (GB) | 2019-08-14 | — | — | EP | disclosed |
| US-20190135777-A1 | QUINOLINE COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO THE MODULATION OF THE SEROTONIN 5-HT6 RECEPTOR | AbbVie Deutschland GmbH & Co. KG (DE) | 2019-05-09 | — | — | US | disclosed |
| US-10160744-B2 | Quinoline compounds suitable for treating disorders that respond to the modulation of the serotonin 5-HT6 receptor | AbbVie Deutschland GmbH & Co. KG (DE) | 2018-12-25 | — | — | US | disclosed |
| US-8575186-B2 | Epiminocycloalkyl[b] indole derivatives as serotonin sub-type 6 (5-HT6) modulators and uses thereof | ALBANY MOLECULAR RESEARCH, INC. (US) | 2013-11-05 | — | — | US | disclosed |
| WO-2012099952-A2 | BENZOFURO[3,2-C] PYRIDINES AND RELATED ANALOGS AS SEROTONIN SUB-TYPE 6 (5-HT6) MODULATORS FOR THE TREATMENT OF OBESITY, METABOLIC SYNDROME, COGNITION AND SCHIZOPHRENIA | ALBANY MOLECULAR RESEARCH, INC. (US) | 2012-07-26 | — | — | WO | disclosed |
| US-20120184531-A1 | BENZOFURO[3,2-c] PYRIDINES AND RELATED ANALOGS AS SEROTONIN SUB-TYPE 6 (5-HT6) MODULATORS FOR THE TREATMENT OF OBESITY, METABOLIC SYNDROME, COGNITION AND SCHIZOPHRENIA | ALBANY MOLECULAR RESEARCH, INC. (US) | 2012-07-19 | — | — | US | disclosed |
| US-20110112122-A1 | EPIMINOCYCLOALKYL[b] INDOLE DERIVATIVES AS SEROTONIN SUB-TYPE 6 (5-HT6) MODULATORS AND USES THEREOF | ALBANY MOLECULAR RESEARCH, INC. (US) | 2011-05-12 | — | — | US | disclosed |
| WO-2011044134-A1 | EPIMINOCYCLOALKYL(B)INDOLE DERIVATIVES AS SEROTONIN SUB-TYPE 6 (5-HT6) MODULATORS AND USES THEREOF | ALBANY MOLECULAR RESEARCH, INC. (US) | 2011-04-14 | — | — | WO | disclosed |
| EP-2074118-A2 | TRISUBSTITUTED PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES | AstraZeneca AB (SE) | 2009-07-01 | — | — | EP | disclosed |
| US-20090018134-A1 | Compounds - 945 | ASTRAZENECA AB (SE) | 2009-01-15 | — | — | US | disclosed |
| WO-2009007748-A2 | TRISUBSTITUTED PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES | ASTRAZENECA AB (SE) | 2009-01-15 | — | — | WO | disclosed |
| EP-1231197-A1 | Process for producing allyl halide compound | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2002-08-14 | — | — | EP | disclosed |
| US-20020107422-A1 | Process for producing allyl halide compound | SUMITOMO CHEMICAL COMPANY LIMITED (JP) | 2002-08-08 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (8 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20110112122-A1 | EPIMINOCYCLOALKYL[b] INDOLE DERIVATIVES AS SEROTONIN SUB-TYPE 6 (5-HT6) MODULATORS AND USES THEREOF | HTR6, HTR3B, HTR1B | ESR2 444/4885CES2 213/4885CES1 178/4885 |
| US-20090018134-A1 | Compounds - 945 | MTOR, PIK3CA, PIK3R5 | ESR2 3333/4885CES2 2150/4885CES1 2220/4885 |
| US-11802110-B2 | 2-amino-N-(arylsulfinyl)-acetamide compounds as inhibitors of bacterial aminoacyl-tRNA synthetase | AARS1, NSUN3, GARS1 | ESR2 1225/4885CES2 1372/4885CES1 1245/4885 |
| US-20200039929-A1 | 2-AMINO-N-(ARYLSULFINYL)-ACETAMIDE COMPOUNDS AS INHIBITORS OF BACTERIAL AMINOACYL-TRNA SYNTHETASE | AARS1, NSUN3, GARS1 | ESR2 1225/4885CES2 1372/4885CES1 1245/4885 |
| US-10160744-B2 | Quinoline compounds suitable for treating disorders that respond to the modulation of the serotonin 5-HT6 receptor | HTR6, HTR5A, HTR1A | ESR2 1098/4885CES2 950/4885CES1 1688/4885 |
| US-20120184531-A1 | BENZOFURO[3,2-c] PYRIDINES AND RELATED ANALOGS AS SEROTONIN SUB-TYPE 6 (5-HT6) MODULATORS FOR THE TREATMENT OF OBESITY, METABOLIC SYNDROME, COGNITION AND SCHIZOPHRENIA | HTR6, HTR5A, HTR2C | ESR2 2619/4885CES2 826/4885CES1 449/4885 |
| US-20020107422-A1 | Process for producing allyl halide compound | ENY2, ZYX, RPS4Y1 | ESR2 316/4885CES2 1967/4885CES1 1097/4885 |
| US-20190135777-A1 | QUINOLINE COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO THE MODULATION OF THE SEROTONIN 5-HT6 RECEPTOR | HTR6, HTR5A, HTR1A | ESR2 1098/4885CES2 950/4885CES1 1688/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.