SCHEMBL12484141

SCHEMBL12484141

CCOC(=O)c1sc(-c2cccc(F)c2)c(C)c1-c1ccc(S(N)(=O)=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 6/20 0.53
TRPM8 Q7Z2W7 2/20 0.49
PTGS2 P35354 3/20 0.46
KDM4E B2RXH2 2/20 0.45
NPC1 O15118 2/20 0.45
MAPT P10636 2/20 0.45
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
GRM6 O15303 1/20 0.43
CA2 P00918 4/20 0.42
CA1 P00915 3/20 0.42
CA9 Q16790 3/20 0.42
CA4 P22748 1/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
KMT2A Q03164 1/20 0.42
HSD17B10 Q99714 1/20 0.42
PTGS1 P23219 1/20 0.41
CA12 O43570 1/20 0.41

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
SCHEMBL12483144 0.89 CHRNA7 (0.60) CHRNA7TRPM8PTGS2KDM4ENPC1
SCHEMBL12483588 0.88 CHRNA7 (0.60) CHRNA7TRPM8KDM4ENPC1MAPT
SCHEMBL12483291 0.88 CHRNA7 (0.69) CHRNA7TRPM8PTGS2CA2CA1
SCHEMBL12484020 0.88 CHRNA7 (0.57) CHRNA7PTGS2KDM4ENPC1MAPT
SCHEMBL12483256 0.87 CHRNA7 (0.61) CHRNA7PTGS2KDM4ENPC1MAPT
SCHEMBL12484246 0.87 CHRNA7 (0.52) CHRNA7KDM4ENPC1MAPTRAB9A
SCHEMBL12483618 0.86 CHRNA7 (0.52) CHRNA7PTGS2CA2CA1CA9
SCHEMBL12484207 0.85 CHRNA7 (0.59) CHRNA7PTGS2CA2CA1CA9
SCHEMBL12483554 0.85 CHRNA7 (0.49) CHRNA7PTGS2KDM4ENPC1MAPT
SCHEMBL12483823 0.84 CHRNA7 (0.62) CHRNA7TRPM8PTGS2KDM4EMAPT

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 1/4885TRPM8 472/4885PTGS2 4837/4885
US-20150231143-A1 Heteroaryl Derivatives as Alpha7 NACHR Modulators CHRNA7, CHRM1, CHRM2 CHRNA7 1/4885TRPM8 491/4885PTGS2 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.