SCHEMBL13784388

SCHEMBL13784388

CS(=O)(=O)c1ccc(C23CCC(C(=O)NN)(CC2)CC3)cc1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.37
TGM2 P21980 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD11B1 P28845 1/20 0.34
DGAT1 O75907 1/20 0.34
SOAT1 P35610 1/20 0.34
HTT P42858 1/20 0.34
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
GCK P35557 1/20 0.33
USP28 Q96RU2 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
SCHEMBL1604392 0.81 DGAT1 (0.45) ENPP2DGAT1SOAT1PTGS1PTGS2
SCHEMBL12759864 0.81 CYP3A4 (0.39) ENPP2TGM2KMT2AHSD11B1PTGS1
SCHEMBL1604341 0.79 PNMT (0.52) ENPP2PTGS1PTGS2
SCHEMBL1502483 0.77 HSD11B1 (0.44) KMT2AHSD11B1
SCHEMBL1605275 0.75 ENPP2 (0.38) ENPP2TGM2KMT2AHTTPTGS1
SCHEMBL13309656 0.72 MEN1 (0.38) KMT2AHSD11B1
SCHEMBL1605170 0.72 ALDH1A1 (0.43) ENPP2PTGS1PTGS2
SCHEMBL13309763 0.72 POLB (0.35) KMT2AHSD11B1GCK
SCHEMBL1605132 0.71 RORC (0.41)
SCHEMBL5605482 0.71 ENPP2 (0.42) ENPP2KMT2APTGS1PTGS2

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-20090181994-A1 TRIAZOLE DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1 MERCK & CO., INC. (US) 2009-07-16 US disclosed
US-20090181994-A1 TRIAZOLE DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1 MERCK & CO., INC. (US) 2009-07-16 US disclosed
US-7504402-B2 Triazole derivatives as inhibitors of 11-β-hydroxysteroid dehydrogenase-1 MERCK & CO., INC. (US) 2009-03-17 US disclosed
US-7504402-B2 Triazole derivatives as inhibitors of 11-β-hydroxysteroid dehydrogenase-1 MERCK & CO., INC. (US) 2009-03-17 US disclosed
EP-1581515-B1 TRIAZOLE DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1 MERCK & CO INC (US) 2007-10-10 EP 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-20090181994-A1 TRIAZOLE DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1 HSD11B1, HSD17B1, HSD3B1 ENPP2 4661/4885TGM2 1179/4885KMT2A 3305/4885

“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.