SCHEMBL1502449

SCHEMBL1502449

COC(=O)C12CCC(CCCOS(C)(=O)=O)(CC1)CC2

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
MMP9 P14780 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
NPSR1 Q6W5P4 1/20 0.34
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
CHRM1 P11229 1/20 0.32

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
SCHEMBL1502417 0.91 NPSR1 (0.36) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL6921477 0.81 NPSR1 (0.32) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL12759795 0.81 NPSR1 (0.38) NPSR1CHRM1
SCHEMBL1502444 0.77 CYP4F2 (0.49) NPSR1CYP4F2CYP4A11CHRM1
SCHEMBL1502450 0.77 NPSR1 (0.35) NPSR1CYP4F2CYP4A11CHRM1
SCHEMBL4325284 0.76 CCR2 (0.44) NPSR1CYP4F2CYP4A11CHRM1
SCHEMBL24906929 0.75 NPSR1 (0.36) NPSR1CHRM1
SCHEMBL12759912 0.74 NPSR1 (0.33) NPSR1CYP4F2CYP4A11CHRM1
SCHEMBL12759874 0.73 CHRM1 (0.37) KDM4EALDH1A1LMNANPSR1CYP4F2
SCHEMBL12251757 0.73 CYP4F2 (0.43) LMNANPSR1CYP4F2CYP4A11CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7915252-B2 Sulfonyl compounds as inhibitors of 11-beta-hydroxysteroid dehydrogenase-1 MERCK SHARP & DOHME (US) 2011-03-29 US disclosed
US-7915252-B2 Sulfonyl compounds as inhibitors of 11-beta-hydroxysteroid dehydrogenase-1 MERCK SHARP & DOHME (US) 2011-03-29 US disclosed
EP-1797034-B1 SULFONYL COMPOUNDS AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1 MERCK SHARP & DOHME (US) 2010-06-30 EP disclosed
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
EP-1797034-A4 SULFONYL COMPOUNDS AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1 MERCK & CO INC (US) 2009-07-15 EP 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
US-20080318930-A1 Sulfonyl Compound as Inhibitors of 11-Beta-Hydroxysteroid Dehydrogenase-1 MERCK SHARP & DOHME LLC 2008-12-25 US disclosed
US-20080318930-A1 Sulfonyl Compound as Inhibitors of 11-Beta-Hydroxysteroid Dehydrogenase-1 MERCK SHARP & DOHME LLC 2008-12-25 US disclosed
EP-1581515-B1 TRIAZOLE DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1 MERCK & CO INC (US) 2007-10-10 EP disclosed
EP-1581515-B1 TRIAZOLE DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1 MERCK & CO INC (US) 2007-10-10 EP disclosed
EP-1797034-A1 SULFONYL COMPOUNDS AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1 Merck & Co., Inc. (US) 2007-06-20 EP disclosed
WO-2006017542-A1 SULFONYL COMPOUNDS AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1 MERCK & CO., INC. (US) 2006-02-16 WO disclosed
EP-1581515-A1 TRIAZOLE DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1 Merck & Co., Inc. (US) 2005-10-05 EP disclosed
US-20050154038-A1 Triazole derivatives as inhibitors of 11-beta-hydroxysteroid dehydrogenase-1 MERCK SHARP & DOHME LLC 2005-07-14 US disclosed
US-6849636-B2 Triazole derivatives as inhibitors of 11-beta-hydroxysteroid dehydrogenase-1 MERCK & CO., INC. (US) 2005-02-01 US disclosed
WO-2004058730-A2 TRIAZOLE DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1 MERCK & CO., INC. (US) 2004-07-15 WO disclosed
WO-2004058741-A1 TRIAZOLE DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1 MERCK & CO., INC. (US) 2004-07-15 WO disclosed
US-20040133011-A1 Triazole derivatives as inhibitors of 11-beta-hydroxysteroid dehydrogenase-1 MERCK SHARP & DOHME LLC 2004-07-08 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 (4 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-20080318930-A1 Sulfonyl Compound as Inhibitors of 11-Beta-Hydroxysteroid Dehydrogenase-1 HSD11B1, HSD17B1, HSD11B2 KDM4E 3411/4885USP2 3014/4885ALDH1A1 179/4885
US-20050154038-A1 Triazole derivatives as inhibitors of 11-beta-hydroxysteroid dehydrogenase-1 HSD11B1, HSD17B1, HSD3B1 KDM4E 4025/4885USP2 3062/4885ALDH1A1 145/4885
US-20040133011-A1 Triazole derivatives as inhibitors of 11-beta-hydroxysteroid dehydrogenase-1 HSD11B1, HSD17B1, HSD3B1 KDM4E 4066/4885USP2 2987/4885ALDH1A1 146/4885
US-20090181994-A1 TRIAZOLE DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1 HSD11B1, HSD17B1, HSD3B1 KDM4E 4025/4885USP2 3062/4885ALDH1A1 145/4885

“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.