SCHEMBL1583765

SCHEMBL1583765

O=S(O)c1cccc2ccccc12.[NaH]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.43
NR4A1 P22736 1/20 0.42
NR4A2 P43354 1/20 0.42
NR4A3 Q92570 1/20 0.42
ALDH1A1 P00352 4/20 0.40
CYP2A6 P11509 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
TSHR P16473 2/20 0.40
HSD17B10 Q99714 2/20 0.40
MMP3 P08254 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
CYP3A4 P08684 1/20 0.38
HPGD P15428 1/20 0.38
KEAP1 Q14145 1/20 0.38
ACP3 P15309 1/20 0.37
PTPN1 P18031 1/20 0.37
CDC25B P30305 1/20 0.37
PLK1 P53350 1/20 0.37

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
SCHEMBL347056 0.98 CYP1A2 (0.44) CYP1A2NR4A1NR4A2NR4A3ALDH1A1
SCHEMBL30785066 0.98 CYP1A2 (0.44) CYP1A2NR4A1NR4A2NR4A3ALDH1A1
Ammonia Solution, Strong SCHEMBL21314237 0.96 CYP1A2 (0.43) CYP1A2NR4A1NR4A2NR4A3ALDH1A1
SCHEMBL28136648 0.96 CYP1A2 (0.43) CYP1A2NR4A1NR4A2NR4A3ALDH1A1
Formaldehyde SCHEMBL11755336 0.94 CYP1A2 (0.41) CYP1A2NR4A1NR4A2NR4A3ALDH1A1
SCHEMBL21314245 0.84 CDYL (0.44) CYP1A2ALDH1A1TDP1TSHRKDM4E
SCHEMBL4649800 0.82 ALDH1A1 (0.37) CYP1A2NR4A1NR4A2NR4A3ALDH1A1
SCHEMBL21314240 0.79 ALDH1A1 (0.42) CYP1A2ALDH1A1CYP2A6TDP1KDM4E
N-Benzylmethylamine SCHEMBL28137345 0.79 KDM4E (0.49) CYP1A2TSHRKDM4ECYP3A4ACP3
SCHEMBL11859134 0.78 G6PD (0.48) ALDH1A1TDP1TSHRHSD17B10KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022209944-A1 DENTAL POLYMERIZATION KIT サンメディカル株式会社 2022-10-06 WO disclosed
EP-3148371-B1 REACTIVE MICRO APPLICATOR WITH METAL-CONTAINING ADDITIVES FOR USE IN DENTAL ADHESIVES KULZER & CO GMBH (DE) 2019-09-04 EP disclosed
CN-105906537-B (Z)The One-step Synthesis method of formula sulfonyl enoic acid ester compounds 湖南科技学院 2017-12-15 CN disclosed
CN-105906537-A One-pot synthesis method of (Z)-type sulfonyl olefine acid ester compound 湖南科技学院 2016-08-31 CN disclosed
US-9067949-B2 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) 2015-06-30 US disclosed
EP-2668191-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) 2013-12-04 EP 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
US-5990105-A POSSESS A SELECTIVE AFFINITY TO 5HT-6 RECEPTORS; TREATING OR PREVENTING PSYCHOSES, SCHIZOPHRENIA, MANIC DEPRESSIONS, DEPRESSIONS, NEUROLOGICAL DISORDERS, PARKINSON'S, AMYOTROPHIC LATERAL SCLEROSIS, ALZHEIMER'S AND HUNTINGTON'S DISEASE HOFFMANN-LA ROCHE INC. (US) 1999-11-23 US disclosed
CN-1231287-A Benzosulfone derivatives HOFFMANN LA ROCHE (CH) 1999-10-13 CN disclosed
EP-0930302-A2 Benzosulfone derivatives F.HOFFMANN-LA ROCHE AG (CH) 1999-07-21 EP disclosed
EP-0405389-B1 Process for producing an aromatic compound MITSUBISHI CHEM IND (JP) 1995-01-04 EP disclosed
US-5159082-A Catalytic coupling of an aromatic sulfinic acid with an aromatic halogen compound MITSUBISHI KASEI CORPORATION (JP) 1992-10-27 US disclosed
EP-0304190-B1 (ARYLSULPHONYL)NITROMETHANES, PROCESS FOR THEIR PREPARATION AND USE IN PHARMACEUTICAL COMPOSITIONS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-07-08 EP disclosed
EP-0405389-A1 Process for producing an aromatic compound Mitsubishi Chemical Corporation (JP) 1991-01-02 EP disclosed
EP-0342939-A1 Silver halide photographic light sensitive material KONICA CORPORATION (JP) 1989-11-23 EP disclosed
CN-1031529-A Pharmaceutical composition ICI PLC (GB) 1989-03-08 CN disclosed
EP-0304190-A1 (Arylsulphonyl)nitromethanes, process for their preparation and use in pharmaceutical compositions IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-02-22 EP 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 (2 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 CYP1A2 149/4885NR4A1 1008/4885NR4A2 1174/4885
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 CYP1A2 131/4885NR4A1 396/4885NR4A2 496/4885

“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.