SCHEMBL12484247

SCHEMBL12484247

CCOC(=O)c1sc(-c2ccc(OC(F)(F)F)cc2)c(C)c1-c1ccc(S(N)(=O)=O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 5/20 0.56
GRM6 O15303 2/20 0.46
PTGS2 P35354 3/20 0.43
PTGS1 P23219 1/20 0.43
CA12 O43570 3/20 0.42
CA9 Q16790 2/20 0.42
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
CA7 P43166 1/20 0.41
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
PTGDR2 Q9Y5Y4 2/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
RXFP1 Q9HBX9 1/20 0.39
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
CASP3 P42574 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
SCHEMBL12483898 0.90 CHRNA7 (0.70) CHRNA7GRM6PTGS2PTGS1CA12
SCHEMBL12484281 0.89 CHRNA7 (0.59) CHRNA7GRM6PTGS2PTGS1CA12
SCHEMBL12483144 0.87 CHRNA7 (0.60) CHRNA7GRM6PTGS2PTGS1CA12
SCHEMBL12483823 0.87 CHRNA7 (0.62) CHRNA7GRM6PTGS2CA12CA9
SCHEMBL12483471 0.86 CHRNA7 (0.61) CHRNA7GRM6PTGS2CA12CA9
SCHEMBL12483256 0.86 CHRNA7 (0.61) CHRNA7GRM6PTGS2PTGS1CA12
SCHEMBL12483021 0.85 CHRNA7 (0.58) CHRNA7GRM6PTGS2CA12CA9
SCHEMBL12483675 0.85 CHRNA7 (0.76) CHRNA7GRM6PTGS2PTGS1CA12
SCHEMBL12484103 0.84 CHRNA7 (0.59) CHRNA7GRM6PTGS2CA12CA9
SCHEMBL12483463 0.83 CHRNA7 (0.58) CHRNA7GRM6PTGS2CA12CA9

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 1/4885GRM6 156/4885PTGS2 4837/4885
US-20150231143-A1 Heteroaryl Derivatives as Alpha7 NACHR Modulators CHRNA7, CHRM1, CHRM2 CHRNA7 1/4885GRM6 150/4885PTGS2 4832/4885

“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.