SCHEMBL12484010

SCHEMBL12484010

Cc1c(-c2ccccc2Cl)sc(C(=O)O)c1-c1ccc(S(N)(=O)=O)cc1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.55
PTGS2 P35354 11/20 0.47
PTGS1 P23219 8/20 0.47
CA1 P00915 5/20 0.44
CA2 P00918 5/20 0.44
CA12 O43570 3/20 0.43
CA9 Q16790 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
GRM6 O15303 1/20 0.41
CA14 Q9ULX7 1/20 0.39

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
SCHEMBL12483510 0.88 CHRNA7 (0.73) CHRNA7PTGS2PTGS1CA1CA2
SCHEMBL12483972 0.87 CHRNA7 (0.59) CHRNA7PTGS2PTGS1CA1CA2
SCHEMBL12483094 0.86 CHRNA7 (0.56) CHRNA7PTGS2PTGS1CA1CA2
SCHEMBL12483300 0.86 CHRNA7 (0.62) CHRNA7PTGS2PTGS1CA1CA2
SCHEMBL12483507 0.83 CHRNA7 (0.77) CHRNA7PTGS2PTGS1CA1CA2
SCHEMBL12483265 0.83 CHRNA7 (0.59) CHRNA7PTGS2PTGS1CA1CA2
SCHEMBL12483894 0.81 CHRNA7 (0.60) CHRNA7PTGS2PTGS1CA1CA2
SCHEMBL12482964 0.81 CHRNA7 (0.62) CHRNA7PTGS2PTGS1CA1CA2
SCHEMBL12483956 0.80 CHRNA7 (0.59) CHRNA7PTGS2PTGS1CA2
SCHEMBL12483436 0.79 CHRNA7 (0.60) CHRNA7PTGS2PTGS1CA2CA12

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 9 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 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
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 1/4885PTGS2 4837/4885PTGS1 4725/4885
US-20150231143-A1 Heteroaryl Derivatives as Alpha7 NACHR Modulators CHRNA7, CHRM1, CHRM2 CHRNA7 1/4885PTGS2 4832/4885PTGS1 4654/4885

“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.