SCHEMBL863053

SCHEMBL863053

CS(=O)(=O)/C=C/c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARG P37231 7/20 0.53
LMNA P02545 3/20 0.53
NFE2L2 Q16236 2/20 0.53
GLA P06280 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MAPT P10636 1/20 0.50
HIF1A Q16665 1/20 0.50
HTT P42858 2/20 0.49
PTGS2 P35354 1/20 0.46
ALDH1A1 P00352 2/20 0.46
MAOB P27338 1/20 0.46
PKM P14618 1/20 0.46
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
HSP90AA1 P07900 2/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44

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
SCHEMBL4770742 1.00 PPARG (0.53) PPARGLMNANFE2L2GLASMN1; SMN2
SCHEMBL12324763 1.00 PPARG (0.53) PPARGLMNANFE2L2GLASMN1; SMN2
SCHEMBL3730162 0.80 PPARG (0.57) PPARGLMNANFE2L2SMN1; SMN2MAPT
SCHEMBL19155588 0.80 PPARG (0.57) PPARGLMNANFE2L2SMN1; SMN2MAPT
SCHEMBL1194569 0.80 PPARG (0.57) PPARGLMNANFE2L2SMN1; SMN2MAPT
SCHEMBL587895 0.80 PPARG (0.57) PPARGLMNANFE2L2SMN1; SMN2MAPT
SCHEMBL6609135 0.79 PPARG (0.49) PPARGALDH1A1
SCHEMBL6609137 0.79 PPARG (0.49) PPARGALDH1A1
SCHEMBL6207941 0.78 PPARG (0.55) PPARGLMNANFE2L2SMN1; SMN2HTT
SCHEMBL21647828 0.78 PPARG (0.55) PPARGLMNANFE2L2SMN1; SMN2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3377484-B1 METHODS FOR TREATING MULTIPLE SCLEROSIS USING PYRIMIDINE AND PYRIDINE COMPOUNDS WITH BTK INHIBITORY ACTIVITY MERCK PATENT GMBH (DE) 2023-09-06 EP disclosed
EP-3464317-B1 AMINOSTEROID DERIVATIVES AND PROCESS FOR PRODUCING SAME UNIV LAVAL (CA) 2023-04-26 EP disclosed
WO-2023003882-A2 COMPOUNDS HAVING SELECTIVE INACTIVATION ACTIVITY UNIVERSITY OF NORTH CAROLINA AT WILMINGTON (US) 2023-01-26 WO disclosed
EP-4014977-A1 PYRIMIDINE COMPOUNDS WITH BTK INHIBITORY ACTIVITY FOR USE IN TREATING CANCER Merck Patent GmbH (DE) 2022-06-22 EP disclosed
EP-2718270-B1 COMPOSITIONS AND METHODS FOR THE PRODUCTION OF PYRIMIDINE AND PYRIDINE COMPOUNDS WITH BTK INHIBITORY ACTIVITY MERCK PATENT GMBH (DE) 2022-04-27 EP disclosed
US-11174282-B2 Aminosteroid derivatives and process for producing same UNIVERSITé LAVAL (CA) 2021-11-16 US disclosed
US-20210207175-A1 COMPOUND FOR REGULATING GENE EDITING EFFICIENCY AND APPLICATION THEREOF SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2021-07-08 US disclosed
EP-3825409-A1 COMPOUND FOR REGULATING GENE EDITING EFFICIENCY AND APPLICATION THEREOF Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences (CN) 2021-05-26 EP disclosed
WO-2019238091-A1 COMPOUND FOR REGULATING GENE EDITING EFFICIENCY AND APPLICATION THEREOF 中国科学院上海有机化学研究所 2019-12-19 WO disclosed
US-RE47493-E1 Substituted bicyclic dihydropyrimidinones and their use as inhibitors of neutrophil elastase activity BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-07-09 US disclosed
US-7169925-B2 Indole derivatives as interleukin-4 gene expression inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2007-01-30 US disclosed
US-7169925-B2 Indole derivatives as interleukin-4 gene expression inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2007-01-30 US disclosed
WO-2005111008-A2 COMPOUNDS FOR ENZYME INHIBITION PROTEOLIX, INC. (US) 2005-11-24 WO disclosed
US-6875761-B2 Certain 1,3-disubstituted isoquinoline derivatives EISAI CO., LTD. (JP) 2005-04-05 US disclosed
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives EISAI CO., LTD. 2004-10-14 US disclosed
US-6790844-B2 MUSCLE RELAXANTS; ANTISEROTONINE AGENT EISAI CO., LTD (JP) 2004-09-14 US disclosed
US-20020013460-A1 Condensed pyridine compound EISAI CO., LTD 2002-01-31 US disclosed
US-6340759-B1 ANTISPASMODIC AGENTS EISAI CO., LTD. (JP) 2002-01-22 US disclosed
EP-1020445-A1 FUSED PYRIDINE DERIVATIVES Eisai Co., Ltd. (JP) 2000-07-19 EP disclosed
US-4022804-A ADDITION REACTION; SULFONIC ACID BROMIDES, UNSATURATED COMPOUNDS BASF AKTIENGESELLSCHAFT (DT) 1977-05-10 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 (4 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-20020013460-A1 Condensed pyridine compound MUSK, HTR1A, PAX3 PPARG 1862/4885LMNA 1057/4885NFE2L2 1702/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 PPARG 2582/4885LMNA 1917/4885NFE2L2 2322/4885
US-20210207175-A1 COMPOUND FOR REGULATING GENE EDITING EFFICIENCY AND APPLICATION THEREOF TET2, ZFX, ZFR PPARG 334/4885LMNA 1544/4885NFE2L2 4073/4885
US-11174282-B2 Aminosteroid derivatives and process for producing same HSD17B11, HSD17B7, CYP19A1 PPARG 944/4885LMNA 3630/4885NFE2L2 554/4885

“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.