SCHEMBL2829709

SCHEMBL2829709

Cc1nc(C(=O)O)c(Nc2cc(F)cc(Cl)c2)s1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 2/20 0.43
RAPGEF4 Q8WZA2 1/20 0.43
GRM5 P41594 7/20 0.42
GRM4 Q14833 1/20 0.36
EPAS1 Q99814 4/20 0.36
DHODH Q02127 1/20 0.35
CSF1R P07333 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL2826274 0.91 GRM5 (0.46) CSNK2A1RAPGEF4GRM5NPSR1RXFP1
SCHEMBL2830963 0.81 CSNK2A1 (0.45) CSNK2A1GRM5
SCHEMBL2827195 0.81 GRM5 (0.47) CSNK2A1GRM5NPSR1KDM4ENPC1
SCHEMBL2829048 0.81 GRM5 (0.46) GRM5KDM4ENPC1ALDH1A1RAB9A
SCHEMBL2829111 0.81 GRM5 (0.50) GRM5KDM4ENPC1ALDH1A1
SCHEMBL2827045 0.80 GRM5 (0.51) CSNK2A1GRM5DHODHKDM4ENPC1
SCHEMBL3527323 0.78 GRM5 (0.37) CSNK2A1GRM5
SCHEMBL3527322 0.76 GRM5 (0.36) CSNK2A1GRM5CSF1R
SCHEMBL2825845 0.75 GRM5 (0.42) CSNK2A1GRM5NPC1RAB9ASMN1; SMN2
SCHEMBL2829077 0.74 GRM5 (0.50) GRM5KDM4ENPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7678815-B2 Thiazole-4-carboxyamide derivatives HOFFMANN-LA ROCHE INC. (US) 2010-03-16 US claimed
CN-101137653-A Thiazole-4-carboxamide derivatives as MGLUR5 antagonists HOFFMANN LA ROCHE (CH) 2008-03-05 CN claimed
EP-1844044-A1 THIAZOLE-4-CARBOXAMIDE DERIVATIVES AS MGLUR5 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2007-10-17 EP claimed
US-20060160857-A1 Thiazole-4-carboxyamide derivatives HOFFMANN-LA ROCHE INC. 2006-07-20 US claimed
WO-2006074884-A1 THIAZOLE-4-CARBOXAMIDE DERIVATIVES AS MGLUR5 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2006-07-20 WO claimed
CN-101137653-B Thiazole-4-carboxamide derivatives as MGLUR5 antagonists HOFFMANN LA ROCHE 2012-05-09 CN disclosed
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
CN-101137653-A Thiazole-4-carboxamide derivatives as MGLUR5 antagonists HOFFMANN LA ROCHE (CH) 2008-03-05 CN 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 CSNK2A1 568/4885RAPGEF4 1812/4885GRM5 4/4885

“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.