SCHEMBL12484281

SCHEMBL12484281

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.59
CA1 P00915 5/20 0.52
CA2 P00918 5/20 0.52
CA12 O43570 4/20 0.52
CA9 Q16790 4/20 0.52
CA7 P43166 3/20 0.52
GRM6 O15303 1/20 0.48
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
PTGS2 P35354 4/20 0.43
PTGS1 P23219 3/20 0.43
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.41
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41
TDP1 Q9NUW8 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
SCHEMBL12483029 0.90 CHRNA7 (0.60) CHRNA7CA1CA2CA12CA9
SCHEMBL12483823 0.90 CHRNA7 (0.62) CHRNA7CA1CA2CA12CA9
SCHEMBL12483193 0.89 CHRNA7 (0.74) CHRNA7CA1CA2CA12CA9
SCHEMBL12483471 0.89 CHRNA7 (0.61) CHRNA7CA1CA2CA12CA9
SCHEMBL12483256 0.89 CHRNA7 (0.61) CHRNA7CA1CA2CA12CA9
SCHEMBL12484246 0.89 CHRNA7 (0.52) CHRNA7CA1CA2CA12CA9
SCHEMBL12484247 0.89 CHRNA7 (0.56) CHRNA7CA1CA2CA12CA9
SCHEMBL12483675 0.88 CHRNA7 (0.76) CHRNA7CA1CA2CA12CA9
SCHEMBL12483144 0.88 CHRNA7 (0.60) CHRNA7CA1CA2CA12CA9
SCHEMBL12484103 0.87 CHRNA7 (0.59) CHRNA7CA1CA2CA12CA9

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 1/4885CA1 887/4885CA2 2246/4885
US-20150231143-A1 Heteroaryl Derivatives as Alpha7 NACHR Modulators CHRNA7, CHRM1, CHRM2 CHRNA7 1/4885CA1 804/4885CA2 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.