SCHEMBL5044790

SCHEMBL5044790

Cc1c(C(=O)O)cc(-c2csc(-c3cnccn3)n2)n1CC1CCCO1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.46
HSD17B10 Q99714 1/20 0.46
CDC25A P30304 1/20 0.42
CDC25B P30305 1/20 0.42
CDC25C P30307 1/20 0.42
DUSP3 P51452 1/20 0.42
EPHX2 P34913 1/20 0.42
KLKB1 P03952 1/20 0.41
KLK1 P06870 1/20 0.41
ROCK1 Q13464 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
KMT2A Q03164 2/20 0.39
RAB9A P51151 3/20 0.38
NPC1 O15118 2/20 0.38
POLB P06746 1/20 0.38
ALDH1A1 P00352 4/20 0.38
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CPT2 P23786 1/20 0.38

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
SCHEMBL5047659 0.88 ALDH1A1 (0.42) KDM4EHSD17B10CDC25ACDC25BCDC25C
SCHEMBL5047650 0.88 KLKB1 (0.45) KDM4EHSD17B10CDC25ACDC25BCDC25C
SCHEMBL5039577 0.87 KLKB1 (0.42) KDM4EHSD17B10KLKB1KLK1KDM4C
SCHEMBL5045879 0.87 KLKB1 (0.44) KDM4EHSD17B10CDC25ACDC25BCDC25C
SCHEMBL5047848 0.87 KLKB1 (0.44) KDM4EHSD17B10CDC25ACDC25BCDC25C
SCHEMBL5039354 0.84 CDC25A (0.49) KDM4EHSD17B10CDC25ACDC25BCDC25C
SCHEMBL5039472 0.82 CDC25A (0.46) HSD17B10CDC25ACDC25BCDC25CDUSP3
SCHEMBL5048548 0.81 CDC25A (0.46) HSD17B10CDC25ACDC25BCDC25CDUSP3
SCHEMBL5044320 0.80 CDC25A (0.67) KDM4EHSD17B10CDC25ACDC25BCDC25C
SCHEMBL5044584 0.80 KLKB1 (0.43) KLKB1KLK1KDM4CKMT2ARAB9A

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 KDM4E 2916/4885HSD17B10 2802/4885CDC25A 1091/4885

“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.