SCHEMBL3542155

SCHEMBL3542155

COc1cccc(-c2nc(C(=O)N3CCCC4CCCC=C43)cs2)c1F

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.42
HTR2C P28335 7/20 0.41
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
JAK2 O60674 2/20 0.36
JAK3 P52333 2/20 0.36
PTK2 Q05397 2/20 0.36
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
GAA P10253 1/20 0.35
SCD5 Q86SK9 1/20 0.35
SHMT2 P34897 2/20 0.35
TACR3 P29371 1/20 0.34
PROKR1 Q8TCW9 3/20 0.34

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
SCHEMBL3538082 0.91 SHMT2 (0.43) HTR2CALDH1A1HPGDGAASCD5
SCHEMBL3540873 0.90 ALDH1A1 (0.47) HTR2CALDH1A1KDM4EHPGDHSD17B10
SCHEMBL3540062 0.89 PIM1 (0.40) PIM1
SCHEMBL3544618 0.88 CCNT1 (0.40) ALDH1A1
SCHEMBL3540890 0.85 HTR2C (0.41) PIM1HTR2CPROKR1
SCHEMBL3545577 0.84 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDHSD17B10SCD5
SCHEMBL3537875 0.84 ALDH1A1 (0.37) HTR2CALDH1A1KDM4EHPGDHSD17B10
SCHEMBL3542578 0.83 PIM1 (0.34) PIM1HTR2C
SCHEMBL27730556 0.83 CYP2C9 (0.47) HTR2CHCRTR1HCRTR2PROKR1
SCHEMBL3536850 0.83 HTR2C (0.39) HTR2CSHMT2

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 PIM1 1286/4885HTR2C 422/4885ALDH1A1 707/4885

“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.