SCHEMBL3537433

SCHEMBL3537433

O=C(c1csc(-c2ccc(Cl)cc2Cl)n1)N1CCCC2CCCCC21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKD3 O94806 1/20 0.49
PRKCG P05129 1/20 0.49
PRKCB P05771 1/20 0.49
IL1R1 P14778 1/20 0.49
PRKCA P17252 1/20 0.49
TNFRSF1A P19438 1/20 0.49
PRKCH P24723 1/20 0.49
PRKCI P41743 1/20 0.49
PRKCE Q02156 1/20 0.49
PRKCQ Q04759 1/20 0.49
PRKCZ Q05513 1/20 0.49
PRKCD Q05655 1/20 0.49
PRKD1 Q15139 1/20 0.49
TLR7 Q9NYK1 1/20 0.49
HSD11B1 P28845 2/20 0.44
HTR2C P28335 5/20 0.43
NPSR1 Q6W5P4 1/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
MEN1 O00255 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
SCHEMBL3543872 0.92 HSD11B1 (0.47) PRKD3PRKCGPRKCBIL1R1PRKCA
SCHEMBL3541310 0.90 HSD11B1 (0.43) PRKD3PRKCGPRKCBIL1R1PRKCA
SCHEMBL3536784 0.88 HSD11B1 (0.45) HSD11B1HTR2CKMT2ACNR1CNR2
SCHEMBL3541501 0.87 HSD11B1 (0.43) HSD11B1HTR2CNPC1RAB9AKMT2A
SCHEMBL3541780 0.87 HTR2C (0.57) TLR7HSD11B1HTR2CNPC1RAB9A
SCHEMBL3538582 0.86 RAB9A (0.51) TLR7HSD11B1HTR2CNPSR1NPC1
SCHEMBL3538065 0.85 CPT1A (0.46) HSD11B1NPC1RAB9AKMT2ACNR1
SCHEMBL3540900 0.85 HCRTR2 (0.41) PRKD3PRKCGPRKCBIL1R1PRKCA
SCHEMBL3541004 0.84 TLR7 (0.51) TLR7HSD11B1HTR2CNPSR1MEN1
SCHEMBL3536845 0.83 HTR2C (0.64) TLR7HSD11B1HTR2CCNR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1979335-A2 THIAZOLES AS 11 BETA-HSD1 INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2008-10-15 EP claimed
WO-2007082808-A2 THIAZOLES AS 11 BETA-HSD1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-07-26 WO claimed
US-7645773-B2 Thiazoles as inhibitors of 11β-hydroxysteroid dehydrogenase HOFFMANN-LA ROCHE INC. (US) 2010-01-12 US disclosed
US-7645773-B2 Thiazoles as inhibitors of 11β-hydroxysteroid dehydrogenase HOFFMANN-LA ROCHE INC. (US) 2010-01-12 US disclosed
US-7645773-B2 Thiazoles as inhibitors of 11β-hydroxysteroid dehydrogenase HOFFMANN-LA ROCHE INC. (US) 2010-01-12 US disclosed
EP-1979335-A2 THIAZOLES AS 11 BETA-HSD1 INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2008-10-15 EP disclosed
WO-2007082808-A2 THIAZOLES AS 11 BETA-HSD1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-07-26 WO disclosed
WO-2007082808-A2 THIAZOLES AS 11 BETA-HSD1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-07-26 WO disclosed
US-20070167622-A1 [2-(3-chloro-phenyl)-thiazol-4-yl]-(octahydro-quinolin-1-yl)-methanone; azocan-1-yl-[2-(2,3-dichloro-phenyl)-thiazol-4-yl]-methanone; type II diabetes mellitus and metabolic syndrome GILLESPIE PAUL 2007-07-19 US disclosed
US-20070167622-A1 [2-(3-chloro-phenyl)-thiazol-4-yl]-(octahydro-quinolin-1-yl)-methanone; azocan-1-yl-[2-(2,3-dichloro-phenyl)-thiazol-4-yl]-methanone; type II diabetes mellitus and metabolic syndrome GILLESPIE PAUL 2007-07-19 US disclosed
US-20070167622-A1 [2-(3-chloro-phenyl)-thiazol-4-yl]-(octahydro-quinolin-1-yl)-methanone; azocan-1-yl-[2-(2,3-dichloro-phenyl)-thiazol-4-yl]-methanone; type II diabetes mellitus and metabolic syndrome GILLESPIE PAUL 2007-07-19 US 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-20070167622-A1 [2-(3-chloro-phenyl)-thiazol-4-yl]-(octahydro-quinolin-1-yl)-methanone; azocan-1-yl-[2-(2,3-dichloro-phenyl)-thiazol-4-yl]-methanone; type II diabetes mellitus and metabolic syndrome GOT2, PC, CYP11B2 PRKD3 2145/4885PRKCG 1643/4885PRKCB 1745/4885

“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.