SCHEMBL4633529

SCHEMBL4633529

CN(C)C(=O)c1sc2ccccc2c1OC(CCc1ccccc1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 9/20 0.50
PPARG P37231 3/20 0.44
PPARA Q07869 2/20 0.44
NPC1 O15118 1/20 0.39
EDNRA P25101 1/20 0.39
PTGS2 P35354 1/20 0.39
KMT2A Q03164 2/20 0.38
F2 P00734 1/20 0.38
MAPT P10636 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
PTGES O14684 1/20 0.37
ALOX5 P09917 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
SCHEMBL4633994 0.89 PPARG (0.44) PTPN1PPARGPPARAEDNRAKMT2A
SCHEMBL4603622 0.87 PTPN1 (0.52) PTPN1PPARGPPARAEDNRAPTGS2
SCHEMBL4606731 0.84 PTPN1 (0.52) PTPN1PPARGPPARAEDNRAPTGS2
SCHEMBL4605156 0.75 KMT2A (0.47) PTPN1PPARGPPARAEDNRAKMT2A
SCHEMBL4605133 0.75 ALDH1A1 (0.51) PTPN1EDNRAPTGS2KMT2AMAPT
SCHEMBL4634461 0.74 ABCC1 (0.43) PTPN1PPARGPPARANPC1KMT2A
SCHEMBL4605351 0.74 ALDH1A1 (0.48) PTPN1PPARGPPARAKMT2AALDH1A1
SCHEMBL4606177 0.73 PPARG (0.44) PTPN1PPARGPPARAEDNRAKMT2A
SCHEMBL4605028 0.72 KMT2A (0.49) PTPN1PPARGPPARAEDNRAKMT2A
SCHEMBL4635079 0.72 ABCC1 (0.44) PTPN1PPARGPPARANPC1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1685121-B1 ANTIDIABETIC COMPOUNDS COMPRISING BENZOTHIOPHENE DERIVATIVES MERCK PATENT GMBH (DE) 2008-06-11 EP disclosed
US-7375130-B2 Antidiabetic compounds comprising benzofuran and benzothiophene derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2008-05-20 US disclosed
US-20070078178-A1 Antidiabetic compounds comprising benzofuran and benzothiophene derivatives MERCK PATENT GMBH (DE) 2007-04-05 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 (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-20070078178-A1 Antidiabetic compounds comprising benzofuran and benzothiophene derivatives GPR119, INSR, GLP1R PTPN1 1650/4885PPARG 44/4885PPARA 138/4885

“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.