SCHEMBL2824922

SCHEMBL2824922

CCOC(=O)c1nc(C)sc1Nc1cccc(S(N)(=O)=O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKB Q96GD4 4/20 0.53
AURKA O14965 2/20 0.53
CA2 P00918 8/20 0.48
CA12 O43570 7/20 0.48
CA1 P00915 7/20 0.48
CA9 Q16790 7/20 0.48
ILK Q13418 1/20 0.45
ALDH1A1 P00352 4/20 0.44
CA5A P35218 1/20 0.44
CACNA1B Q00975 1/20 0.44
APBA1 Q02410 1/20 0.44
KDM4E B2RXH2 2/20 0.43
NPC1 O15118 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAPT P10636 1/20 0.43
CCNT1 O60563 1/20 0.43
CDK1 P06493 1/20 0.43
CCNB1 P14635 1/20 0.43
CCNA2 P20248 1/20 0.43
CDK2 P24941 1/20 0.43

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
SCHEMBL2826726 0.85 CA1 (0.51) CA2CA12CA1CA9MAPT
SCHEMBL2826958 0.77 GRM5 (0.60) ILKALDH1A1KDM4ENPC1MAPT
SCHEMBL2828387 0.75 KIT (0.47) ALDH1A1NPC1MAPTLMNAGAA
SCHEMBL2827062 0.75 ROCK1 (0.44) ALDH1A1NPC1CCNT1CDK1CCNB1
SCHEMBL2829699 0.74 LMNA (0.49) ALDH1A1KDM4ENPC1MAPTLMNA
SCHEMBL27087507 0.74 POLB (0.49) ALDH1A1KDM4ENPC1MAPTLMNA
SCHEMBL2829463 0.73 GRM5 (0.54) ILKALDH1A1KDM4ENPC1MAPT
SCHEMBL2832972 0.72 GRM5 (0.46) CA2CA12CA1CA9ALDH1A1
SCHEMBL2832757 0.72 CA2 (0.45) CA2CA12CA1CA9L3MBTL1
SCHEMBL2438172 0.71 AURKB (0.52) AURKBAURKACA2CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1844044-B1 THIAZOLE-4-CARBOXAMIDE DERIVATIVES AS MGLUR5 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-07-21 EP disclosed
US-7678815-B2 Thiazole-4-carboxyamide derivatives HOFFMANN-LA ROCHE INC. (US) 2010-03-16 US disclosed
EP-1844044-A1 THIAZOLE-4-CARBOXAMIDE DERIVATIVES AS MGLUR5 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2007-10-17 EP disclosed
US-20060160857-A1 Thiazole-4-carboxyamide derivatives HOFFMANN-LA ROCHE INC. 2006-07-20 US disclosed
WO-2006074884-A1 THIAZOLE-4-CARBOXAMIDE DERIVATIVES AS MGLUR5 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2006-07-20 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 (1 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-20060160857-A1 Thiazole-4-carboxyamide derivatives GRM1, GRM2, GRIA4 AURKB 2793/4885AURKA 2259/4885CA2 340/4885

“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.