SCHEMBL12484246

SCHEMBL12484246

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 3/20 0.52
CA9 Q16790 7/20 0.43
CA2 P00918 6/20 0.43
CA1 P00915 5/20 0.43
CA7 P43166 2/20 0.43
CA14 Q9ULX7 1/20 0.43
CA4 P22748 1/20 0.43
CA5A P35218 1/20 0.43
CA5B Q9Y2D0 1/20 0.43
CA12 O43570 4/20 0.41
MAPT P10636 4/20 0.41
ALDH1A1 P00352 3/20 0.41
HPGD P15428 3/20 0.41
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HSD17B10 Q99714 2/20 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
SCHEMBL12484446 0.91 CHRNA7 (0.53) CHRNA7CA9CA2CA1CA7
SCHEMBL12483134 0.90 CHRNA7 (0.65) CHRNA7CA9CA2CA1CA7
SCHEMBL12484281 0.89 CHRNA7 (0.59) CHRNA7CA9CA2CA1CA7
SCHEMBL12483588 0.87 CHRNA7 (0.60) CHRNA7CA9CA2CA1CA7
SCHEMBL12484141 0.87 CHRNA7 (0.53) CHRNA7CA9CA2CA1CA7
SCHEMBL12483256 0.87 CHRNA7 (0.61) CHRNA7CA9CA2CA1CA7
SCHEMBL12483823 0.83 CHRNA7 (0.62) CHRNA7CA9CA2CA1CA7
SCHEMBL12484020 0.83 CHRNA7 (0.57) CHRNA7CA9CA2CA1CA4
SCHEMBL12483079 0.83 CHRNA7 (0.60) CHRNA7CA9CA2CA1CA7
SCHEMBL12483471 0.82 CHRNA7 (0.61) CHRNA7CA9CA2CA1CA7

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 1/4885CA9 2135/4885CA2 2246/4885
US-20150231143-A1 Heteroaryl Derivatives as Alpha7 NACHR Modulators CHRNA7, CHRM1, CHRM2 CHRNA7 1/4885CA9 2376/4885CA2 2339/4885

“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.