SCHEMBL3544618

SCHEMBL3544618

COc1ccc(F)cc1-c1nc(C(=O)N2CCCC3CCCC=C32)cs1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 13/20 0.40
CDK9 P50750 13/20 0.40
PDE2A O00408 2/20 0.37
ABL1 P00519 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CNR2 P34972 1/20 0.36

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
SCHEMBL3545577 0.91 ALDH1A1 (0.43) ALDH1A1
SCHEMBL3538068 0.89 CPT1A (0.41) ABL1ALDH1A1
SCHEMBL3538082 0.89 SHMT2 (0.43) ALDH1A1
SCHEMBL3542155 0.88 PIM1 (0.42) ALDH1A1
SCHEMBL3537882 0.86 PIM1 (0.39) PDE2AALDH1A1
SCHEMBL3545771 0.85 ALDH1A1 (0.53) ALDH1A1
SCHEMBL3537875 0.85 ALDH1A1 (0.37) ALDH1A1
SCHEMBL3540062 0.85 PIM1 (0.40) PDE2A
SCHEMBL3540873 0.85 ALDH1A1 (0.47) PDE2AALDH1A1
SCHEMBL3541503 0.84 RAB9A (0.38) ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7645773-B2 Thiazoles as inhibitors of 11β-hydroxysteroid dehydrogenase HOFFMANN-LA ROCHE INC. (US) 2010-01-12 US disclosed
US-20070167622-A1 [2-(3-chloro-phenyl)-thiazol-4-yl]-(octahydro-quinolin-1-yl)-methanone; azocan-1-yl-[2-(2,3-dichloro-phenyl)-thiazol-4-yl]-methanone; type II diabetes mellitus and metabolic syndrome GILLESPIE PAUL 2007-07-19 US 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-20070167622-A1 [2-(3-chloro-phenyl)-thiazol-4-yl]-(octahydro-quinolin-1-yl)-methanone; azocan-1-yl-[2-(2,3-dichloro-phenyl)-thiazol-4-yl]-methanone; type II diabetes mellitus and metabolic syndrome GOT2, PC, CYP11B2 CCNT1 2279/4885CDK9 1378/4885PDE2A 1180/4885

“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.