SCHEMBL4364572

SCHEMBL4364572

CN(NC(=O)OC(C)(C)C)c1cc(C#N)ccc1F

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EGLN2 Q96KS0 3/20 0.42
TRPA1 O75762 1/20 0.40
CTSS P25774 3/20 0.39
CTSL P07711 2/20 0.39
CTSB P07858 2/20 0.39
GPR119 Q8TDV5 3/20 0.37
KDM4D Q6B0I6 1/20 0.37
NSD2 O96028 1/20 0.36
CTSK P43235 1/20 0.36
TBXA2R P21731 1/20 0.36
ABCB1 P08183 2/20 0.36
AAK1 Q2M2I8 1/20 0.36
AKT1 P31749 2/20 0.36
DRD2 P14416 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.35

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
SCHEMBL4364528 0.84 AKT1 (0.40) CTSSCTSLCTSBCTSKAKT1
SCHEMBL29582812 0.74 EGLN2 (0.53) EGLN2TRPA1GPR119KDM4D
SCHEMBL29538262 0.73 CTSS (0.45) EGLN2TRPA1CTSSKDM4DCTSK
SCHEMBL4370004 0.73 EGLN2 (0.39) EGLN2TRPA1GPR119ABCB1AAK1
SCHEMBL1692763 0.73 GRM5 (0.44) EGLN2TRPA1GPR119KDM4D
SCHEMBL15919245 0.72 KDM4E (0.40) EGLN2CTSSCTSLCTSBKDM4D
SCHEMBL4375001 0.72 AKT1 (0.42) CTSSCTSLCTSBGPR119CTSK
SCHEMBL25675005 0.72 EGLN2 (0.42) EGLN2TRPA1CTSSGPR119KDM4D
SCHEMBL30975794 0.72 EGLN2 (0.42) EGLN2TRPA1CTSSGPR119KDM4D
SCHEMBL15135598 0.71 AKT1 (0.39) CTSSCTSLCTSBKDM4DAAK1

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-1924563-B1 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1-INHIBITOR-DIABETES-TYPE 2-1 HOFFMANN LA ROCHE (CH) 2013-07-31 EP disclosed
US-7622492-B2 Pyrazolones as inhibitors of 11β-hydroxysteroid dehydrogenase HOFFMANN-LA ROCHE INC. (US) 2009-11-24 US disclosed
EP-1924563-A1 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1-INHIBITOR-DIABETES-TYPE 2-1 F.HOFFMANN-LA ROCHE AG (CH) 2008-05-28 EP disclosed
WO-2007025892-A1 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1-INHIBITOR-DIABETES-TYPE 2-1 F. HOFFMANN-LA ROCHE AG (CH) 2007-03-08 WO disclosed
US-20070049632-A1 Pyrazolones as inhibitors of 11B-hydroxysteroid dehydrogenase BANNER BRUCE L 2007-03-01 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-20070049632-A1 Pyrazolones as inhibitors of 11B-hydroxysteroid dehydrogenase HSD17B1, HSD17B2, HSD3B2 EGLN2 961/4885TRPA1 4851/4885CTSS 3304/4885

“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.