SCHEMBL1044403

SCHEMBL1044403

CC(C)(C)c1ccc(S(=O)(=O)N2CCC(c3nc(C(=O)N4CCCCC4)cs3)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.51
GAA P10253 1/20 0.51
TP53 P04637 1/20 0.50
HSD11B1 P28845 5/20 0.49
EPHX2 P34913 1/20 0.48
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
MAPT P10636 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 1/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TSHR P16473 1/20 0.42

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
SCHEMBL1045166 0.86 ALDH1A1 (0.59) EPHX2MEN1KMT2AALDH1A1HTT
SCHEMBL1044407 0.85 HSD11B1 (0.48) LMNAGAATP53HSD11B1EPHX2
SCHEMBL1045240 0.83 EPHX2 (0.48) LMNAGAATP53HSD11B1EPHX2
SCHEMBL1042842 0.83 EPHX2 (0.48) LMNAGAATP53HSD11B1EPHX2
SCHEMBL1044408 0.82 HSD11B1 (0.46) LMNAGAATP53HSD11B1EPHX2
SCHEMBL1042841 0.82 EPHX2 (0.48) LMNAGAATP53HSD11B1EPHX2
SCHEMBL1042729 0.81 TRPC3 (0.43) GAAMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL28020348 0.81 EPHX2 (0.47) LMNAGAATP53HSD11B1EPHX2
SCHEMBL15122033 0.76 EPHX2 (0.46) LMNAGAATP53HSD11B1EPHX2
SCHEMBL15121827 0.75 TP53 (0.48) LMNAGAATP53HSD11B1EPHX2

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 LMNA 3433/4885GAA 471/4885TP53 3543/4885

“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.