SCHEMBL182775

SCHEMBL182775

CC(NS(C)(=O)=O)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 6/20 0.57
ALDH1A1 P00352 3/20 0.53
KDM4E B2RXH2 1/20 0.49
HPGD P15428 1/20 0.49
HSD17B10 Q99714 1/20 0.49
POLB P06746 1/20 0.49
CA12 O43570 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
MOGAT2 Q3SYC2 1/20 0.46

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
SCHEMBL3885828 1.00 CNR2 (0.57) CNR2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL10080089 1.00 CNR2 (0.57) CNR2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL7955002 0.84 CA12 (0.57) ALDH1A1KDM4EHPGDHSD17B10POLB
SCHEMBL6333241 0.81 ALDH1A1 (0.51) CNR2ALDH1A1POLBCA12CA7
SCHEMBL1938001 0.81 ALDH1A1 (0.51) ALDH1A1KDM4EHPGDHSD17B10POLB
SCHEMBL5682335 0.81 ALDH1A1 (0.51) ALDH1A1KDM4EHPGDHSD17B10POLB
SCHEMBL7568229 0.81 ALDH1A1 (0.51) ALDH1A1KDM4EHPGDHSD17B10POLB
SCHEMBL9184442 0.81 ALDH1A1 (0.51) CNR2ALDH1A1POLBCA12CA7
SCHEMBL10312259 0.81 CNR2 (0.51) CNR2ALDH1A1
SCHEMBL5682340 0.81 ALDH1A1 (0.51) ALDH1A1KDM4EHPGDHSD17B10POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110230478-A1 4-Alkyl-substituted diaminopyrimidines Bayer ScienceCrop AG (DE) 2011-09-22 US claimed
EP-2330904-A2 4-ALKYL-SUBSTITUTED DIAMINOPYRIMIDINES Bayer CropScience AG (DE) 2011-06-15 EP claimed
WO-2010025863-A2 4-ALKYL-SUBSTITUTED DIAMINOPYRIMIDINES BAYER CROPSCIENCE AG (DE) 2010-03-11 WO claimed
WO-2024164666-A1 METHOD FOR PREPARING BENZYLAMINE DERIVATIVE BY VISIBLE LIGHT-PROMOTED NICKEL-CATALYZED AMINATION OF BENZYL C-H BONDS 上海沃凯生物技术有限公司 2024-08-15 WO disclosed
CN-116063209-B Method for preparing benzylamine derivative by catalyzing amination of benzyl C-H bond through nickel under promotion of visible light 上海沃凯生物技术有限公司 2024-04-09 CN disclosed
EP-3838903-B1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVE AS JANUS KINASE INHIBITOR INCYTE HOLDINGS CORP (US) 2023-11-22 EP disclosed
CN-116063209-A Method for preparing benzylamine derivative by catalyzing amination of benzyl C-H bond through nickel under promotion of visible light 上海沃凯生物技术有限公司 2023-05-05 CN disclosed
US-11524961-B2 JAK kinase inhibitor and preparation method and use thereof SHANGHAI LONGWOOD BIOPHARMACEUTICALS CO., LTD. (CN) 2022-12-13 US disclosed
EP-3838903-A1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVE AS JANUS KINASE INHIBITOR Incyte Holdings Corporation (US) 2021-06-23 EP disclosed
CN-108976178-B Preparation method of chiral sulfonamide organic compound 云南民族大学 2020-06-05 CN disclosed
EP-3466953-A1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVE AS JANUS KINASE INHIBITOR Incyte Holdings Corporation (US) 2019-04-10 EP disclosed
US-20090099143-A1 TETRAHYDRO-INDAZOLE CANNABINOID MODULATORS LAGU BHARAT 2009-04-16 US disclosed
CN-101386590-A Pyrrolidone containing hydroxymethyl and carboxyl, preparation method and medicament composition and use thereof INST MATERIA MEDICA CAMS (CN) 2009-03-18 CN disclosed
US-7452997-B2 Tetrahydro-indazole cannabinoid modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2008-11-18 US disclosed
US-20080176911-A1 ACYLAMINOTHIAZOLE DERIVATIVES AND USE THEREOF AS BETA-AMYLOID INHIBITORS SANOFI-AVENTIS (FR) 2008-07-24 US disclosed
US-7371770-B2 Acylaminothiazole derivatives and use thereof as β-amyloid inhibitors SANOFIAVENTIS (FR) 2008-05-13 US disclosed
US-20080076814-A1 Hexahydro-Cyclooctyl Pyrazole Cannabinoid Modulators JANSSEN PHARMACEUTICA N.V. (BE) 2008-03-27 US disclosed
US-20050228034-A1 Tetrahydro-indazole cannabinoid modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2005-10-13 US disclosed
CN-1055679-C Phenethylamine derivative with cardiovascular activity UNIV CHINA PHARMACY (CN) 2000-08-23 CN disclosed
CN-1156141-A Phenethylamine derivative with cardiovascular activity UNIV CHINA PHARMACY (CN) 1997-08-06 CN 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 (6 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-20080176911-A1 ACYLAMINOTHIAZOLE DERIVATIVES AND USE THEREOF AS BETA-AMYLOID INHIBITORS APP, BACE1, ATG4A CNR2 4210/4885ALDH1A1 4081/4885KDM4E 1544/4885
US-20050228034-A1 Tetrahydro-indazole cannabinoid modulators CNR2, CNR1, GPR18 CNR2 1/4885ALDH1A1 1597/4885KDM4E 1714/4885
US-20110230478-A1 4-Alkyl-substituted diaminopyrimidines DPM1, DPYD, POLR1C CNR2 4279/4885ALDH1A1 765/4885KDM4E 1081/4885
US-11524961-B2 JAK kinase inhibitor and preparation method and use thereof JAK1, JAK2, JAK3 CNR2 3458/4885ALDH1A1 3221/4885KDM4E 1409/4885
US-20080076814-A1 Hexahydro-Cyclooctyl Pyrazole Cannabinoid Modulators CNR1, CNR2, FAAH CNR2 2/4885ALDH1A1 2936/4885KDM4E 2159/4885
US-20090099143-A1 TETRAHYDRO-INDAZOLE CANNABINOID MODULATORS CNR2, CNR1, GPR18 CNR2 1/4885ALDH1A1 1597/4885KDM4E 1714/4885

“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.