SCHEMBL2829793

SCHEMBL2829793

CCOC(=O)c1cc(C)sc1NC(=O)OC(C)(C)C

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.56
NPSR1 Q6W5P4 4/20 0.56
MAPT P10636 4/20 0.56
LMNA P02545 3/20 0.56
KMT2A Q03164 2/20 0.56
ALOX12 P18054 2/20 0.56
MEN1 O00255 1/20 0.56
HPGD P15428 3/20 0.52
KDM4E B2RXH2 2/20 0.52
HSD17B10 Q99714 1/20 0.48
THRB P10828 2/20 0.46
TP53 P04637 1/20 0.46
GAA P10253 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
POLB P06746 1/20 0.46
HIF1A Q16665 1/20 0.46
GSTO1 P78417 1/20 0.46

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
SCHEMBL21930986 0.87 ALDH1A1 (0.47) ALDH1A1NPSR1MAPTLMNAKMT2A
SCHEMBL14875905 0.84 ALDH1A1 (0.76) ALDH1A1NPSR1MAPTLMNAKMT2A
SCHEMBL30590426 0.83 SMN1; SMN2 (0.40) ALDH1A1NPSR1MAPTLMNAKMT2A
SCHEMBL2824619 0.83 NPSR1 (0.45) ALDH1A1NPSR1MAPTLMNAKMT2A
SCHEMBL16707018 0.81 ALDH1A1 (0.62) ALDH1A1NPSR1MAPTLMNAKMT2A
SCHEMBL5464054 0.80 ALDH1A1 (0.61) ALDH1A1NPSR1MAPTLMNAKMT2A
SCHEMBL6031501 0.79 HSD17B10 (0.47) ALDH1A1NPSR1MAPTLMNAKMT2A
SCHEMBL10051818 0.78 ALDH1A1 (0.52) ALDH1A1NPSR1MAPTLMNAKMT2A
SCHEMBL2998593 0.77 PTPN2 (0.43) ALDH1A1MAPTKMT2AMEN1HPGD
SCHEMBL28786532 0.77 SMN1; SMN2 (0.40) ALDH1A1MAPTKMT2AMEN1HPGD

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 ALDH1A1 913/4885NPSR1 173/4885MAPT 3444/4885

“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.