SCHEMBL1045157

SCHEMBL1045157

CC(C)NC(=O)N1CCC(c2nc(C(=O)N(C3CCCCC3)C3CC3)cs2)CC1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 10/20 0.41
S1PR1 P21453 5/20 0.41
GAA P10253 1/20 0.37
HSD11B1 P28845 2/20 0.37
PPARG P37231 1/20 0.37
TRPC3 Q13507 1/20 0.36
TRPC6 Q9Y210 1/20 0.36
EPHX2 P34913 2/20 0.36
PDE4B Q07343 1/20 0.35
PIM1 P11309 1/20 0.35
PIM3 Q86V86 1/20 0.35
PIM2 Q9P1W9 1/20 0.35
SPR P35270 1/20 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
SCHEMBL1043656 0.91 PPARG (0.40) S1PR3S1PR1GAAHSD11B1PPARG
SCHEMBL1076877 0.88 S1PR3 (0.42) S1PR3S1PR1GAAHSD11B1PPARG
SCHEMBL1045528 0.87 S1PR3 (0.40) S1PR3S1PR1GAAHSD11B1PPARG
SCHEMBL1042173 0.87 S1PR3 (0.38) S1PR3S1PR1GAAHSD11B1PIM1
SCHEMBL1042052 0.87 HTT (0.42) S1PR3S1PR1
SCHEMBL1044955 0.86 S1PR3 (0.43) S1PR3S1PR1GAAHSD11B1
SCHEMBL15122055 0.85 S1PR3 (0.39) S1PR3S1PR1GAAHSD11B1PPARG
SCHEMBL1044260 0.85 S1PR3 (0.39) S1PR3S1PR1GAAHSD11B1PPARG
SCHEMBL3454477 0.85 S1PR3 (0.43) S1PR3S1PR1GAAHSD11B1PIM1
SCHEMBL6523696 0.85 S1PR3 (0.42) S1PR3S1PR1GAAHSD11B1PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102015026-B The Compounds and methods for of the antiport suppressing NHE to mediate in treatment with fluid retention or salt over loading relevant disease and gastroenteropathy MERCK PATENT GMBH (DE) 2015-11-25 CN claimed
US-8546575-B2 NIP thiazole derivatives as inhibitors of 11-beta-hydroxysteroid dehydroge-nase-1 MERCK PATENT GMBH (DE) 2013-10-01 US claimed
EP-2271405-B1 NIP THIAZOLE DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1 MERCK PATENT GMBH (DE) 2013-07-24 EP claimed
CN-102015026-A Novel nip thiazole derivatives as inhibitors of 11-beta-hydroxysteroid dehydrogenase-1 MERCK PATENT GMBH 2011-04-13 CN claimed
US-20110060007-A1 Novel NIP Thiazole Derivatives as Inhibitors of 11-Beta-Hydroxysteroid Dehydroge-Nase-1 Merck Patent Gesellschaft Mit Beschrankter Haftling (DE) 2011-03-10 US claimed
EP-2271405-A2 NIP THIAZOLE DERIVATIVES AS INHIBITORS OF 11-BETA-HYDORXYSTEROID DEHYDROGENASE-1 Merck Patent GmbH (DE) 2011-01-12 EP claimed
WO-2009135581-A9 NIP THIAZOLE DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1 MERCK PATENT GMBH (DE) 2010-11-11 WO claimed
WO-2009135581-A2 NOVEL NIP THIAZOLE DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1 MERCK PATENT GMBH (DE) 2009-11-12 WO claimed
CN-102015026-B The Compounds and methods for of the antiport suppressing NHE to mediate in treatment with fluid retention or salt over loading relevant disease and gastroenteropathy MERCK PATENT GMBH (DE) 2015-11-25 CN disclosed
EP-2271405-B1 NIP THIAZOLE DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1 MERCK PATENT GMBH (DE) 2013-07-24 EP disclosed
CN-102015026-A Novel nip thiazole derivatives as inhibitors of 11-beta-hydroxysteroid dehydrogenase-1 MERCK PATENT GMBH 2011-04-13 CN disclosed
EP-2271405-A2 NIP THIAZOLE DERIVATIVES AS INHIBITORS OF 11-BETA-HYDORXYSTEROID DEHYDROGENASE-1 Merck Patent GmbH (DE) 2011-01-12 EP disclosed
WO-2009135581-A9 NIP THIAZOLE DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1 MERCK PATENT GMBH (DE) 2010-11-11 WO disclosed
WO-2009135581-A2 NOVEL NIP THIAZOLE DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1 MERCK PATENT GMBH (DE) 2009-11-12 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-20110060007-A1 Novel NIP Thiazole Derivatives as Inhibitors of 11-Beta-Hydroxysteroid Dehydroge-Nase-1 HSD11B1, HSD17B1, HSD11B2 S1PR3 4823/4885S1PR1 4265/4885GAA 471/4885

“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.