SCHEMBL1044864

SCHEMBL1044864

CS(=O)(=O)N1CCC(c2nc(C(=O)N3CCCC4CCCC=C43)cs2)CC1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 1/20 0.34
PIM1 P11309 2/20 0.33
PIM3 Q86V86 2/20 0.33
PIM2 Q9P1W9 2/20 0.33
ALDH1A1 P00352 1/20 0.33
F2RL3 Q96RI0 1/20 0.32
POLB P06746 1/20 0.31
ENPP2 Q13822 1/20 0.31
SPR P35270 1/20 0.31
HTT P42858 1/20 0.30
AXL P30530 2/20 0.30
TRPC3 Q13507 1/20 0.30
TRPC6 Q9Y210 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
PIK3CD O00329 1/20 0.30
PIK3CA P42336 1/20 0.30
PIK3CB P42338 1/20 0.30
PIK3CG P48736 1/20 0.30

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
SCHEMBL1044752 0.91 SMYD3 (0.35) SMYD3PIM1PIM3PIM2ALDH1A1
SCHEMBL1045029 0.88 L3MBTL1 (0.35) SMYD3ALDH1A1POLB
SCHEMBL1042802 0.87 F2RL3 (0.34) PIM1PIM3PIM2F2RL3
SCHEMBL1044477 0.87 SMYD3 (0.32) SMYD3ALDH1A1F2RL3
SCHEMBL1040332 0.86 NPC1 (0.35) SMYD3NPC1
SCHEMBL6526733 0.86 BAZ2A (0.37) PIM1PIM3PIM2SPRTRPC3
SCHEMBL6526556 0.85 TSHR (0.44) ALDH1A1HTTNPC1RAB9A
SCHEMBL3455430 0.85 TRPC3 (0.34) PIM1PIM3PIM2SPRTRPC3
SCHEMBL1041858 0.84 POLB (0.44) ALDH1A1POLBHTTNPC1RAB9A
SCHEMBL1042726 0.84 KDM4E (0.42) ALDH1A1POLBHTT

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
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
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
CN-102015026-A Novel nip thiazole derivatives as inhibitors of 11-beta-hydroxysteroid dehydrogenase-1 MERCK PATENT GMBH 2011-04-13 CN 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 SMYD3 4839/4885PIM1 3286/4885PIM3 4469/4885

“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.