SCHEMBL12484103

SCHEMBL12484103

CCOC(=O)c1sc(-c2ccncc2)c(C)c1-c1ccc(S(N)(=O)=O)cc1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.59
CDC7 O00311 9/20 0.48
DBF4 Q9UBU7 9/20 0.48
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
MAPK14 Q16539 1/20 0.44
GRM6 O15303 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
PTGS2 P35354 1/20 0.42
CA9 Q16790 4/20 0.42
CA12 O43570 2/20 0.42
CA4 P22748 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
SCHEMBL12483823 0.90 CHRNA7 (0.62) CHRNA7CA1CA2GRM6RXFP1
SCHEMBL12483471 0.89 CHRNA7 (0.61) CHRNA7CA1CA2GRM6RXFP1
SCHEMBL12483256 0.89 CHRNA7 (0.61) CHRNA7CA1CA2GRM6KDM4E
SCHEMBL12483675 0.88 CHRNA7 (0.76) CHRNA7CA1CA2GRM6KDM4E
SCHEMBL12483144 0.88 CHRNA7 (0.60) CHRNA7CA1CA2GRM6KDM4E
SCHEMBL12483761 0.88 CHRNA7 (0.53) CHRNA7CDC7DBF4CA1CA2
SCHEMBL12484281 0.87 CHRNA7 (0.59) CHRNA7CA1CA2GRM6RXFP1
SCHEMBL12484394 0.87 CHRNA7 (0.78) CHRNA7CA1CA2PTGS2CA9
SCHEMBL12483021 0.86 CHRNA7 (0.58) CHRNA7CA1CA2GRM6RXFP1
SCHEMBL12483463 0.86 CHRNA7 (0.58) CHRNA7CA1CA2GRM6RXFP1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103402994-B As the heteroaryl derivative of the NACHR conditioning agents of α 7 鲁宾有限公司 2017-05-31 CN disclosed
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
CN-103402994-A Heteroaryl derivatives as alpha7 NACHR modulators LUPIN LTD 2013-11-20 CN 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 1/4885CDC7 584/4885DBF4 2932/4885
US-20150231143-A1 Heteroaryl Derivatives as Alpha7 NACHR Modulators CHRNA7, CHRM1, CHRM2 CHRNA7 1/4885CDC7 634/4885DBF4 3073/4885

“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.