SCHEMBL2824497

SCHEMBL2824497

Cc1nc(C(=O)O)c(Nc2cc(S(C)(=O)=O)ccc2F)s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.41
RAB9A P51151 4/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
RXFP1 Q9HBX9 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAPT P10636 2/20 0.38
PTGS2 P35354 2/20 0.37
ALDH1A1 P00352 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
KDM4E B2RXH2 2/20 0.35
P2RX7 Q99572 1/20 0.35
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
TYK2 P29597 1/20 0.35
JAK3 P52333 1/20 0.35
RECQL P46063 1/20 0.35
HSD17B10 Q99714 1/20 0.35
GRM5 P41594 1/20 0.35
LMNA P02545 3/20 0.35

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
SCHEMBL2825845 0.84 GRM5 (0.42) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL2827062 0.79 ROCK1 (0.44) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL2826426 0.74 GRM5 (0.43) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL27704496 0.73 MEN1 (0.37) MEN1KMT2ASMN1; SMN2KDM4EP2RX7
SCHEMBL2828399 0.73 GRM5 (0.42) NPC1RAB9AMEN1KMT2ARXFP1
SCHEMBL27258814 0.71 GRM5 (0.39) MEN1KMT2AL3MBTL1MAPTALDH1A1
SCHEMBL2827045 0.71 GRM5 (0.51) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL2826274 0.71 GRM5 (0.46) NPC1RAB9ARXFP1L3MBTL1MAPT
SCHEMBL2833046 0.70 NTRK1 (0.47) RAB9AKMT2AL3MBTL1MAPTALDH1A1
SCHEMBL2827195 0.69 GRM5 (0.47) NPC1RAB9AMEN1KMT2AL3MBTL1

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 13 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 claimed
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 NPC1 2568/4885RAB9A 3231/4885MEN1 2558/4885

“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.