SCHEMBL12736739

SCHEMBL12736739

CNC(=O)C12CCC(/C(N)=N/O)(CC1)CC2

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 17/20 0.38
THRB P10828 1/20 0.33

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
SCHEMBL12736733 0.79 PKM (0.39) THRB
SCHEMBL22280727 0.76 SPHK1 (0.35) SPHK1
SCHEMBL22353653 0.76 SPHK1 (0.35) SPHK1
SCHEMBL22347933 0.76 SPHK1 (0.35) SPHK1
SCHEMBL22347332 0.74 SPHK1 (0.32) SPHK1
SCHEMBL22347330 0.74 SPHK1 (0.32) SPHK1
SCHEMBL4449130 0.72 THRB (0.37) THRB
SCHEMBL25992108 0.72 PKM (0.31)
SCHEMBL13157085 0.69 THRB (0.33) THRB
SCHEMBL1679811 0.68 HSD11B1 (0.39) THRB

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
US-7932280-B2 Triazole derivatives as inhibitors of 11-beta-hydroxysteroid dehydrogenase-1 MERCK SHARP & DOHME CORP. (US) 2011-04-26 US disclosed
US-7932280-B2 Triazole derivatives as inhibitors of 11-beta-hydroxysteroid dehydrogenase-1 MERCK SHARP & DOHME CORP. (US) 2011-04-26 US disclosed
US-20090036503-A1 Triazole Derivatives as Inhibitors of 11-Beta-Hydroxysteroid Dehydrogenase-1 MERCK SHARP & DOHME LLC 2009-02-05 US disclosed
US-20090036503-A1 Triazole Derivatives as Inhibitors of 11-Beta-Hydroxysteroid Dehydrogenase-1 MERCK SHARP & DOHME LLC 2009-02-05 US disclosed
WO-2007087150-A2 TRIAZOLE DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1 MERCK & CO., INC. (US) 2007-08-02 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-20090036503-A1 Triazole Derivatives as Inhibitors of 11-Beta-Hydroxysteroid Dehydrogenase-1 HSD11B1, HSD17B1, HSD3B1 SPHK1 1288/4885THRB 552/4885

“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.