SCHEMBL5212677

SCHEMBL5212677

COc1ccc2sc(C(=O)O)c(Cl)c2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 3/20 0.60
NPSR1 Q6W5P4 2/20 0.60
PRNP P04156 1/20 0.60
TSHR P16473 1/20 0.60
MAPK1 P28482 1/20 0.60
PPARG P37231 1/20 0.60
HTT P42858 1/20 0.60
MAPK10 P53779 1/20 0.60
NCOA2 Q15596 1/20 0.60
MCL1 Q07820 3/20 0.58
BCL2L1 Q07817 1/20 0.56
ALDH1A1 P00352 4/20 0.56
MAPT P10636 3/20 0.56
KDM4E B2RXH2 2/20 0.56
LMNA P02545 1/20 0.56
GAA P10253 1/20 0.56
BCKDK O14874 2/20 0.55
ICAM1 P05362 2/20 0.51
SELE P16581 2/20 0.51
VCAM1 P19320 1/20 0.51

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
SCHEMBL5453267 0.89 RXFP1 (0.76) RXFP1NPSR1PRNPTSHRMAPK1
SCHEMBL1447569 0.87 PRNP (0.60) RXFP1NPSR1PRNPTSHRMAPK1
SCHEMBL6656891 0.86 MAPK1 (0.58) RXFP1NPSR1PRNPTSHRMAPK1
SCHEMBL9433072 0.86 PRNP (0.81) RXFP1NPSR1PRNPTSHRMAPK1
SCHEMBL5228162 0.85 MAPT (0.54) RXFP1NPSR1PRNPTSHRMAPK1
SCHEMBL3484085 0.84 GPR35 (0.57) RXFP1NPSR1PRNPTSHRMAPK1
SCHEMBL30724572 0.84 ICAM1 (0.58) RXFP1NPSR1PRNPTSHRMAPK1
SCHEMBL5211159 0.83 NPSR1 (0.52) RXFP1NPSR1PRNPTSHRMAPK1
SCHEMBL7825167 0.83 ICAM1 (0.50) RXFP1NPSR1PRNPTSHRMAPK1
SCHEMBL10372185 0.83 ICAM1 (0.50) RXFP1NPSR1PRNPTSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1636212-B1 CYCLOALKYLSULFANYL SUBSTITUTED BENZO¬B|THIOPHENES AS THERAPEUTIC AGENTS WARNER LAMBERT CO (US) 2007-06-27 EP disclosed
EP-1636213-B1 3-ARYLOXY AND 3-HETEROARYLOXY SUBSTITUTED BENZO(B) THIOPHENES AS THERAPEUTIC AGENTS WITH PI3K ACTIVITY WARNER LAMBERT CO (US) 2007-06-13 EP disclosed
EP-1636213-A1 3-ARYLOXY AND 3-HETEROARYLOXY SUBSTITUTED BENZO(B) THIOPHENES AS THERAPEUTIC AGENTS WITH PI3K ACTIVITY Warner-Lambert Company LLC (US) 2006-03-22 EP disclosed
EP-1636212-A1 CYCLOALKYLSULFANYL SUBSTITUTED BENZO[B]THIOPHENES AS THERAPEUTIC AGENTS Warner-Lambert Company LLC (US) 2006-03-22 EP disclosed
EP-1636211-A1 3-ARYLSULFANYL AND 3-HETEROARYLSULFANYL SUBSTITUTED BENZO[B]THIOPHENES AS THERAPEUTIC AGENTS WARNER-LAMBERT COMPANY (US) 2006-03-22 EP disclosed
US-20040259926-A1 3-Aryloxy and 3-heteroaryloxy substituted benzo[b]thiophenes as therapeutic agents BRUENDL MICHELLE M (US) 2004-12-23 US disclosed
WO-2004108715-A1 3-ARYLOXY AND 3-HETEROARYLOXY SUBSTITUTED BENZO(B) THIOPHENES AS THERAPEUTIC AGENTS WITH PI3K ACTIVITY WARNER-LAMBERT COMPANY LLC (US) 2004-12-16 WO disclosed
WO-2004108714-A1 CYCLOALKYLSULFANYL SUBSTITUTED BENZO[B]THIOPHENES AS THERAPEUTIC AGENTS WARNER-LAMBERT COMPANY LLC (US) 2004-12-16 WO disclosed
WO-2004108716-A1 3-ARYLSULFANYL AND 3-HETEROARYLSULFANYL SUBSTITUTED BENZO[B]THIOPHENES AS THERAPEUTIC AGENTS WARNER-LAMBERT COMPANY LLC (US) 2004-12-16 WO disclosed
US-20040248954-A1 Cycloalkylsulfanyl substituted benzo[b]thiophenes as therapeutic agents GOGLIOTTI ROCCO DEAN (US) 2004-12-09 US disclosed
US-20040248953-A1 3-Arylsulfanyl and 3-heteroarylsulfanyl substituted benzo[b]thiophenes as therapeutic agents GOGLIOTTI ROCCO DEAN (US) 2004-12-09 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 (3 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-20040248954-A1 Cycloalkylsulfanyl substituted benzo[b]thiophenes as therapeutic agents MALT1, BPNT1, CYP1B1 RXFP1 1623/4885NPSR1 1306/4885PRNP 4235/4885
US-20040248953-A1 3-Arylsulfanyl and 3-heteroarylsulfanyl substituted benzo[b]thiophenes as therapeutic agents SULT2A1, SULT1A1, SULT1E1 RXFP1 966/4885NPSR1 1110/4885PRNP 3673/4885
US-20040259926-A1 3-Aryloxy and 3-heteroaryloxy substituted benzo[b]thiophenes as therapeutic agents MALT1, CYP1B1, CYP4B1 RXFP1 555/4885NPSR1 1781/4885PRNP 4055/4885

“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.