SCHEMBL5043937

SCHEMBL5043937

CCC(C)NC(=O)c1cc(-c2csc(-c3ccc(OC)cc3)n2)n(CC2CCCO2)c1C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25A P30304 1/20 0.59
CDC25B P30305 1/20 0.59
CDC25C P30307 1/20 0.59
DUSP3 P51452 1/20 0.59
HSD17B10 Q99714 5/20 0.45
MAPK1 P28482 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
TP53 P04637 1/20 0.45
STAT1 P42224 1/20 0.45
ALDH1A1 P00352 13/20 0.43
KDM4E B2RXH2 6/20 0.43
KMT2A Q03164 5/20 0.43
GAA P10253 4/20 0.43
HPGD P15428 4/20 0.43
MAPT P10636 4/20 0.43
CASP1 P29466 3/20 0.43
CASP7 P55210 3/20 0.43
THRB P10828 2/20 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
SCHEMBL5039512 0.90 CDC25A (0.61) CDC25ACDC25BCDC25CDUSP3HSD17B10
SCHEMBL5044983 0.89 CDC25A (0.44) CDC25ACDC25BCDC25CDUSP3HSD17B10
SCHEMBL5048735 0.88 CDC25A (0.45) CDC25ACDC25BCDC25CDUSP3HSD17B10
SCHEMBL5044320 0.88 CDC25A (0.67) CDC25ACDC25BCDC25CDUSP3HSD17B10
SCHEMBL5044586 0.87 CDC25A (0.59) CDC25ACDC25BCDC25CDUSP3HSD17B10
SCHEMBL5046853 0.85 CDC25A (0.59) CDC25ACDC25BCDC25CDUSP3HSD17B10
SCHEMBL5048712 0.85 CDC25A (0.59) CDC25ACDC25BCDC25CDUSP3HSD17B10
SCHEMBL5046918 0.84 ALDH1A1 (0.47) CDC25ACDC25BCDC25CDUSP3HSD17B10
SCHEMBL5043851 0.84 SMN1; SMN2 (0.48) CDC25ACDC25BCDC25CDUSP3HSD17B10
SCHEMBL5047025 0.84 KLKB1 (0.49) HSD17B10MAPK1SMN1; SMN2NPC1RAB9A

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-1583762-B1 PYRROLYL-THIAZOLES AND THEIR USE AS CB 1 RECEPTOR INVERSE AGONISTS HOFFMANN LA ROCHE (CH) 2008-07-09 EP disclosed
US-7135488-B2 Pyrrolyl-thiazole derivatives HOFFMANN-LA ROCHE INC. (US) 2006-11-14 US disclosed
EP-1583762-A1 PYRROLYL-THIAZOLES AND THEIR USE AS CB 1 RECEPTOR INVERSE AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2005-10-12 EP disclosed
US-20040147572-A1 Novel pyrrolyl-thiazole derivatives HOFFMAN-LA ROCHE INC. 2004-07-29 US disclosed
WO-2004060888-A1 NOVEL CB 1 RECEPTOR INVERSE AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-07-22 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-20040147572-A1 Novel pyrrolyl-thiazole derivatives CNR1, CNR2, NPY1R CDC25A 1091/4885CDC25B 1444/4885CDC25C 1386/4885

“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.