SCHEMBL1584059

SCHEMBL1584059

O=S(O)c1cccc(F)c1.[NaH]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
PARP1 P09874 1/20 0.41
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
ACHE P22303 1/20 0.38
KCNN4 O15554 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
NFE2L2 Q16236 1/20 0.37
ESR2 Q92731 1/20 0.36
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
IDO1 P14902 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
FAAH O00519 1/20 0.34
MGLL Q99685 1/20 0.34
CA12 O43570 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.

Compoundsimilaritytop predictedshared targets
SCHEMBL8100115 0.98 CES2 (0.45) CES2CES1PARP1HDAC1HDAC6
SCHEMBL10775693 0.81 HPGD (0.32) CA12CA9CA14
SCHEMBL1583684 0.77 CES2 (0.40) CES2CES1CA12CA9
SCHEMBL1584057 0.76 CES2 (0.40) CES2CES1PARP1HDAC1HDAC6
SCHEMBL7515944 0.74 PARP1 (0.41) PARP1IDO1MGLLMMP2CA14
SCHEMBL7514462 0.74 FAAH (0.34) IDO1FAAHMGLL
SCHEMBL1466275 0.74 CYP1A2 (0.44) PARP1MEN1KMT2ACYP11B1CYP11B2
SCHEMBL1585001 0.74 ACHE (0.46) PARP1HDAC6ACHEMEN1KMT2A
SCHEMBL18434981 0.74 HDAC8 (0.45) MEN1KMT2AHDAC4MGLL
SCHEMBL10344609 0.74 CES2 (0.42) CES2CES1CA12CA9

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
WO-2018065611-A1 2-AMINO-N-(ARYLSULFINYL)-ACETAMIDE COMPOUNDS AS INHIBITORS OF BACTERIAL AMINOACYL-TRNA SYNTHETASE Oxford Drug Design Limited (GB) 2018-04-12 WO disclosed
CN-107540586-A A kind of preparation method of the thioaryl sulphonic acid ester of difluoromethyl substitution 中国科学院上海有机化学研究所 2018-01-05 CN disclosed
CN-105985274-B Thioaryl sulphonic acid ester, its preparation method and the application of difluoromethyl substitution 中国科学院上海有机化学研究所 2017-11-07 CN disclosed
US-20170260158-A1 QUINOLINE COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO THE MODULATION OF THE SEROTONIN 5-HT6 RECEPTOR AbbVie Deutschland GmbH & Co. KG (DE) 2017-09-14 US disclosed
CN-105985274-A Difluoromethyl-substituted sulfoaryl sulfonate, and preparation method and application thereof 中国科学院上海有机化学研究所 2016-10-05 CN 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
CN-101801962-A Trisubstituted pyrimidine derivatives for the treatment of proliferative diseases ASTRAZENECA AB 2010-08-11 CN 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 (9 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.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110112122-A1 EPIMINOCYCLOALKYL[b] INDOLE DERIVATIVES AS SEROTONIN SUB-TYPE 6 (5-HT6) MODULATORS AND USES THEREOF HTR6, HTR3B, HTR1B CES2 213/4885CES1 178/4885PARP1 4138/4885
US-20090018134-A1 Compounds - 945 MTOR, PIK3CA, PIK3R5 CES2 2150/4885CES1 2220/4885PARP1 1146/4885
US-11802110-B2 2-amino-N-(arylsulfinyl)-acetamide compounds as inhibitors of bacterial aminoacyl-tRNA synthetase AARS1, NSUN3, GARS1 CES2 1372/4885CES1 1245/4885PARP1 2614/4885
US-20200039929-A1 2-AMINO-N-(ARYLSULFINYL)-ACETAMIDE COMPOUNDS AS INHIBITORS OF BACTERIAL AMINOACYL-TRNA SYNTHETASE AARS1, NSUN3, GARS1 CES2 1372/4885CES1 1245/4885PARP1 2614/4885
US-20170260158-A1 QUINOLINE COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO THE MODULATION OF THE SEROTONIN 5-HT6 RECEPTOR HTR6, HTR5A, HTR1A CES2 950/4885CES1 1688/4885PARP1 2661/4885
US-10160744-B2 Quinoline compounds suitable for treating disorders that respond to the modulation of the serotonin 5-HT6 receptor HTR6, HTR5A, HTR1A CES2 950/4885CES1 1688/4885PARP1 2661/4885
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 CES2 826/4885CES1 449/4885PARP1 3525/4885
US-20020107422-A1 Process for producing allyl halide compound ENY2, ZYX, RPS4Y1 CES2 1967/4885CES1 1097/4885PARP1 779/4885
US-20190135777-A1 QUINOLINE COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO THE MODULATION OF THE SEROTONIN 5-HT6 RECEPTOR HTR6, HTR5A, HTR1A CES2 950/4885CES1 1688/4885PARP1 2661/4885

“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.