SCHEMBL12484394

SCHEMBL12484394

CCC(=O)c1sc(-c2ccncc2)c(C)c1-c1ccc(S(N)(=O)=O)cc1

nearest known ligand 0.78

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 4/20 0.78
PIK3CD O00329 1/20 0.41
PIK3CA P42336 1/20 0.41
PIK3CB P42338 1/20 0.41
PIK3CG P48736 1/20 0.41
PTGS2 P35354 6/20 0.41
PTGS1 P23219 4/20 0.41
CA2 P00918 4/20 0.40
CA1 P00915 3/20 0.40
LRRK2 Q5S007 2/20 0.40
CA9 Q16790 3/20 0.39
CA12 O43570 2/20 0.39
IKBKB O14920 1/20 0.38
CHUK O15111 1/20 0.38
IKBKE Q14164 1/20 0.38

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
SCHEMBL12482725 0.90 CHRNA7 (0.83) CHRNA7PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL12483812 0.88 CHRNA7 (0.81) CHRNA7PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL12483106 0.87 CHRNA7 (0.79) CHRNA7PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL12483102 0.87 CHRNA7 (0.79) CHRNA7PTGS2PTGS1CA2CA9
SCHEMBL12483469 0.87 CHRNA7 (1.00) CHRNA7PTGS2PTGS1CA2CA1
SCHEMBL12483998 0.87 CHRNA7 (0.58) CHRNA7PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL12483527 0.87 CHRNA7 (0.69) CHRNA7PTGS2PTGS1CA2CA1
SCHEMBL17976831 0.87 CHRNA7 (0.74) CHRNA7PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL12484103 0.87 CHRNA7 (0.59) CHRNA7PTGS2CA2CA1CA9
SCHEMBL12482673 0.86 CHRNA7 (0.78) CHRNA7PTGS2PTGS1CA2CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2678327-B9 HETEROARYL DERIVATIVES AS ALPHA7 NACHR MODULATORS LUPIN LTD (IN) 2016-12-28 EP claimed
EP-2678327-B1 HETEROARYL DERIVATIVES AS ALPHA7 NACHR MODULATORS LUPIN LTD (IN) 2016-08-17 EP claimed
US-9393247-B2 Heteroaryl derivatives as alpha7 nAChR modulators LUPIN LIMITED (IN) 2016-07-19 US claimed
US-20150231143-A1 Heteroaryl Derivatives as Alpha7 NACHR Modulators LUPIN LIMITED (IN) 2015-08-20 US claimed
US-9072731-B2 Heteroaryl derivatives as alpha7 nAChR modulators LUPIN LIMITED (IN) 2015-07-07 US claimed
EP-2678327-A1 HETEROARYL DERIVATIVES AS ALPHA7 NACHR MODULATORS Lupin Limited (IN) 2014-01-01 EP claimed
US-20130331387-A1 HETEROARYL DERIVATIVES AS ALPHA7 NACHR MODULATORS LUPIN LIMITED (IN) 2013-12-12 US claimed
CN-103402994-A Heteroaryl derivatives as alpha7 NACHR modulators LUPIN LTD 2013-11-20 CN claimed
WO-2012114285-A9 HETEROARYL DERIVATIVES AS ALPHA7 NACHR MODULATORS LUPIN LIMITED (IN) 2012-10-18 WO claimed
WO-2012114285-A1 HETEROARYL DERIVATIVES AS ALPHA7 NACHR MODULATORS LUPIN LIMITED (IN) 2012-08-30 WO claimed
EP-2678327-B9 HETEROARYL DERIVATIVES AS ALPHA7 NACHR MODULATORS LUPIN LTD (IN) 2016-12-28 EP disclosed
EP-2678327-B1 HETEROARYL DERIVATIVES AS ALPHA7 NACHR MODULATORS LUPIN LTD (IN) 2016-08-17 EP disclosed
US-9393247-B2 Heteroaryl derivatives as alpha7 nAChR modulators LUPIN LIMITED (IN) 2016-07-19 US disclosed
US-20150231143-A1 Heteroaryl Derivatives as Alpha7 NACHR Modulators LUPIN LIMITED (IN) 2015-08-20 US disclosed
US-9072731-B2 Heteroaryl derivatives as alpha7 nAChR modulators LUPIN LIMITED (IN) 2015-07-07 US disclosed
EP-2678327-A1 HETEROARYL DERIVATIVES AS ALPHA7 NACHR MODULATORS Lupin Limited (IN) 2014-01-01 EP disclosed
US-20130331387-A1 HETEROARYL DERIVATIVES AS ALPHA7 NACHR MODULATORS LUPIN LIMITED (IN) 2013-12-12 US disclosed
CN-103402994-A Heteroaryl derivatives as alpha7 NACHR modulators LUPIN LTD 2013-11-20 CN disclosed
WO-2012114285-A9 HETEROARYL DERIVATIVES AS ALPHA7 NACHR MODULATORS LUPIN LIMITED (IN) 2012-10-18 WO disclosed
WO-2012114285-A1 HETEROARYL DERIVATIVES AS ALPHA7 NACHR MODULATORS LUPIN LIMITED (IN) 2012-08-30 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 (2 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-20130331387-A1 HETEROARYL DERIVATIVES AS ALPHA7 NACHR MODULATORS CHRNA7, CHRM1, CHRM2 CHRNA7 1/4885PIK3CD 3543/4885PIK3CA 3318/4885
US-20150231143-A1 Heteroaryl Derivatives as Alpha7 NACHR Modulators CHRNA7, CHRM1, CHRM2 CHRNA7 1/4885PIK3CD 3686/4885PIK3CA 3438/4885

“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.