SCHEMBL1045089

SCHEMBL1045089

O=C(c1csc(C2CCN(S(=O)(=O)CCc3ccncc3)CC2)n1)N1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD11B1 P28845 1/20 0.39
SMYD3 Q9H7B4 1/20 0.37
HTR2C P28335 1/20 0.37
PIM1 P11309 2/20 0.37
PIM3 Q86V86 2/20 0.37
PIM2 Q9P1W9 2/20 0.37
CNR2 P34972 2/20 0.36
TRPC3 Q13507 1/20 0.36
TRPC6 Q9Y210 1/20 0.36
KDM4E B2RXH2 1/20 0.35
SCD O00767 1/20 0.35
SCD5 Q86SK9 1/20 0.35
SPR P35270 1/20 0.35
FAAH O00519 1/20 0.35
HPGD P15428 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
NAMPT P43490 1/20 0.34
CYP2C9 P11712 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
SCHEMBL1042151 0.84 PIM1 (0.37) MEN1KMT2AHSD11B1SMYD3PIM1
SCHEMBL27834893 0.81 PIM1 (0.40) HSD11B1SMYD3PIM1PIM3PIM2
SCHEMBL1042729 0.78 TRPC3 (0.43) MEN1KMT2ASMYD3HTR2CCNR2
SCHEMBL15121633 0.76 HSD11B1 (0.35) MEN1KMT2AHSD11B1SMYD3PIM1
SCHEMBL1045160 0.73 HTR2C (0.44) MEN1KMT2AHTR2CTRPC3TRPC6
SCHEMBL1044403 0.72 LMNA (0.51) MEN1KMT2AHSD11B1ALDH1A1SMN1; SMN2
SCHEMBL1045166 0.72 ALDH1A1 (0.59) MEN1KMT2ATRPC3TRPC6KDM4E
SCHEMBL2985966 0.72 L3MBTL3 (0.43) MEN1KMT2AHTR2CTRPC3TRPC6
SCHEMBL1077788 0.70 CNR2 (0.51) MEN1KMT2ACNR2TRPC3TRPC6
SCHEMBL1045028 0.69 HSD11B1 (0.41) KMT2AHSD11B1CNR2TRPC3TRPC6

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
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
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
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 MEN1 1539/4885KMT2A 4504/4885HSD11B1 1/4885

“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.