SCHEMBL5039472

SCHEMBL5039472

CCc1cc(-c2nc(-c3cc(C(=O)O)c(C)n3CC3CCCO3)cs2)ccn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25A P30304 1/20 0.46
CDC25B P30305 1/20 0.46
CDC25C P30307 1/20 0.46
DUSP3 P51452 1/20 0.46
SREBF2 Q12772 6/20 0.45
SREBF1 P36956 1/20 0.45
EIF4E P06730 1/20 0.42
EPHX2 P34913 1/20 0.41
KDM4C Q9H3R0 1/20 0.40
HSD17B10 Q99714 1/20 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
SMN1; SMN2 Q16637 2/20 0.38
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.38
MEN1 O00255 2/20 0.38
RECQL P46063 2/20 0.38
KMT2A Q03164 2/20 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
SCHEMBL5133254 0.88 CDC25A (0.42) CDC25ACDC25BCDC25CDUSP3SREBF2
SCHEMBL5048584 0.87 SREBF2 (0.47) SREBF2SREBF1ALDH1A1CDC7DBF4
SCHEMBL5039299 0.87 EIF4E (0.41) CDC25ACDC25BCDC25CDUSP3SREBF2
SCHEMBL5039354 0.85 CDC25A (0.49) CDC25ACDC25BCDC25CDUSP3EIF4E
SCHEMBL5044320 0.83 CDC25A (0.67) CDC25ACDC25BCDC25CDUSP3EIF4E
SCHEMBL5044790 0.82 KDM4E (0.46) CDC25ACDC25BCDC25CDUSP3EIF4E
SCHEMBL5044060 0.81 SREBF2 (0.51) SREBF2SREBF1ALDH1A1RECQLCDC7
SCHEMBL5048548 0.81 CDC25A (0.46) CDC25ACDC25BCDC25CDUSP3EIF4E
SCHEMBL5039349 0.80 SREBF2 (0.48) SREBF2SREBF1EIF4ERAB9ANPC1
SCHEMBL5040270 0.80 SREBF2 (0.48) SREBF2SREBF1EIF4ERAB9ANPC1

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.