SCHEMBL903972

SCHEMBL903972

CS(=O)(=O)c1ccc(-c2ccc(O)cc2)nc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.57
MAP4K4 O95819 2/20 0.51
MINK1 Q8N4C8 2/20 0.51
TNIK Q9UKE5 2/20 0.51
FYN P06241 1/20 0.51
MELK Q14680 1/20 0.49
RORC P51449 1/20 0.45
PTGS2 P35354 4/20 0.45
NPC1 O15118 1/20 0.44
MAPT P10636 1/20 0.44
STAT3 P40763 1/20 0.44
RAB9A P51151 1/20 0.44
ATM Q13315 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CDK5 Q00535 2/20 0.44
CDK5R1 Q15078 2/20 0.44
SCD O00767 1/20 0.43
PTGS1 P23219 1/20 0.43
KDM1A O60341 1/20 0.43
GPR119 Q8TDV5 1/20 0.42

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
SCHEMBL388829 0.90 ENPP2 (0.57) ENPP2MAP4K4MINK1TNIKFYN
SCHEMBL903915 0.86 ENPP2 (0.55) ENPP2MAP4K4MINK1TNIKFYN
SCHEMBL19187290 0.84 PTGS2 (0.55) RORCPTGS2PTGS1KDM1A
SCHEMBL13589551 0.82 RORC (0.53) RORCPTGS2PTGS1
SCHEMBL15515728 0.82 NPC1 (0.57) RORCNPC1RAB9ASMN1; SMN2GPR119
SCHEMBL14378767 0.81 PTGS2 (0.48) MELKRORCPTGS2SCDPTGS1
SCHEMBL2440973 0.81 RORC (0.43) ENPP2RORCPTGS2PTGS1GPR119
SCHEMBL6240103 0.79 PTGS2 (0.54) PTGS2PTGS1KDM1AKCNH2
SCHEMBL388550 0.79 PTGS2 (0.50) PTGS2SCDKCNH2
SCHEMBL3889349 0.78 PTGS2 (0.49) RORCPTGS2SCDPTGS1KCNH2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102639500-B Tricyclic compound, preparation method and pharmaceutical use thereof SHANGHAI HENGRUI PHARM CO LTD 2015-02-11 CN disclosed
EP-2010485-B1 AZETIDINE DERIVATIVES AS G-PROTEIN COUPLED RECEPTOR (GPR119 ) AGONISTS PROSIDION LTD (GB) 2012-10-17 EP disclosed
CN-102639500-A Tricyclic compound, preparation method and pharmaceutical use thereof SHANGHAI HENGRUI PHARM CO LTD 2012-08-15 CN disclosed
CN-102432598-A Tricyclic compound, preparation method thereof and pharmaceutical application thereof JIANGSU HENGRUI MEDICINE CO 2012-05-02 CN disclosed
WO-2012041158-A1 TRICYCLIC COMPOUND, PREPARATION METHOD AND PHARMACEUTICAL USE THEREOF 上海恒瑞医药有限公司 (CN) 2012-04-05 WO disclosed
US-20090281076-A1 Azetidine Derivatives as G-Protein Coupled Receptor (GPR119) Agonists PROSIDION LIMITED (GB) 2009-11-12 US disclosed
EP-2010485-A1 AZETIDINE DERIVATIVES AS G-PROTEIN COUPLED RECEPTOR (GPR119 ) AGONISTS Prosidion Limited (GB) 2009-01-07 EP disclosed
WO-2007116230-A1 AZETIDINE DERIVATIVES AS G-PROTEIN COUPLED RECEPTOR (GPR119 ) AGONISTS PROSIDION LTD (GB) 2007-10-18 WO 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 (1 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-20090281076-A1 Azetidine Derivatives as G-Protein Coupled Receptor (GPR119) Agonists GPR119, GPR39, GIPR ENPP2 682/4885MAP4K4 2535/4885MINK1 1487/4885

“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.