SCHEMBL1045388

SCHEMBL1045388

O=C(O)CCNC(=O)N1CCC(c2nc(C(=O)NCC3CCCCC3)cs2)CC1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39
F2R P25116 1/20 0.39
TPSAB1 Q15661 3/20 0.38
USP30 Q70CQ3 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HDAC6 Q9UBN7 2/20 0.37
FAAH O00519 2/20 0.37
HDAC4 P56524 1/20 0.37
PIM1 P11309 1/20 0.37
PIM3 Q86V86 1/20 0.37
PIM2 Q9P1W9 1/20 0.37
CHRM4 P08173 1/20 0.37
NAMPT P43490 1/20 0.36
SMO Q99835 1/20 0.36
CNR1 P21554 2/20 0.36
PPARG P37231 1/20 0.36

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
SCHEMBL3454398 0.87 USP30 (0.42) USP30SMN1; SMN2HDAC6HDAC4PIM1
SCHEMBL1044400 0.84 FAAH (0.41) SMN1; SMN2FAAHCHRM4
SCHEMBL1044756 0.82 FAAH (0.37) ITGB3ITGA2BFAAHPIM1PIM3
SCHEMBL1043679 0.81 HSD11B1 (0.43) SMN1; SMN2FAAHPIM1PIM3PIM2
SCHEMBL1045389 0.81 FAAH (0.40) FAAHCHRM4
SCHEMBL1044679 0.78 CNR1 (0.40) USP30SMN1; SMN2HDAC6HDAC4PIM1
SCHEMBL1044681 0.78 ALDH1A1 (0.49) SMN1; SMN2
SCHEMBL6527833 0.77 KDM4E (0.43) TPSAB1USP30NAMPTCNR1PPARG
SCHEMBL15121653 0.75 FAAH (0.35) ITGB3ITGA2BFAAHPIM1PIM3
SCHEMBL1042793 0.75 ALDH1A1 (0.49) SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
US-8546575-B2 NIP thiazole derivatives as inhibitors of 11-beta-hydroxysteroid dehydroge-nase-1 MERCK PATENT GMBH (DE) 2013-10-01 US disclosed
EP-2271405-B1 NIP THIAZOLE DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1 MERCK PATENT GMBH (DE) 2013-07-24 EP disclosed
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 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 ITGB3 4525/4885ITGA2B 3655/4885F2R 3475/4885

“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.