SCHEMBL3538230

SCHEMBL3538230

CC1CN(C(=O)c2csc(-c3ccc(C(F)(F)F)cc3)n2)CC(C)O1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 1/20 0.47
LMNA P02545 2/20 0.47
MAPK1 P28482 2/20 0.47
MAPT P10636 1/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
NPC1 O15118 3/20 0.47
KMT2A Q03164 1/20 0.47
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 1/20 0.45
RAB9A P51151 1/20 0.45
NR1H4 Q96RI1 1/20 0.44
PREP P48147 1/20 0.43
FAP Q12884 1/20 0.43
TP53 P04637 2/20 0.42
NTMT1 Q9BV86 1/20 0.42
LIPE Q05469 1/20 0.41
IDE P14735 1/20 0.41
MAPK10 P53779 1/20 0.41
POLB P06746 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL3537356 0.88 TLR7 (0.48) TLR7LMNAMAPK1MAPTSMN1; SMN2
SCHEMBL3538121 0.83 KDM4E (0.50) TLR7LMNAMAPTSMN1; SMN2NPC1
SCHEMBL3540337 0.80 TLR7 (0.55) TLR7LMNAMAPK1MAPTSMN1; SMN2
SCHEMBL15896523 0.75 MAPK1 (0.60) TLR7LMNAMAPK1MAPTSMN1; SMN2
SCHEMBL3533598 0.74 ALDH1A1 (0.65) TLR7LMNAMAPK1MAPTKMT2A
SCHEMBL4971553 0.73 HTR2C (0.67) TLR7SMN1; SMN2ALDH1A1TP53
SCHEMBL3540182 0.73 ALDH1A1 (0.60) TLR7LMNAMAPK1SMN1; SMN2NPC1
SCHEMBL20988414 0.73 MAPK1 (0.60) TLR7LMNAMAPK1MAPTSMN1; SMN2
SCHEMBL3063332 0.73 LMNA (0.64) TLR7LMNAMAPK1MAPTSMN1; SMN2
SCHEMBL31579085 0.72 SMN1; SMN2 (0.44) SMN1; SMN2NPC1KMT2AALDH1A1RAB9A

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
CN-101370796-A Thiazoles as 11 beta-HSD1 inhibitors HOFFMANN LA ROCHE (CH) 2009-02-18 CN claimed
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
CN-101370796-B Thiazoles as 11 beta-HSD1 inhibitors HOFFMANN LA ROCHE 2012-10-10 CN 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
US-7645773-B2 Thiazoles as inhibitors of 11β-hydroxysteroid dehydrogenase HOFFMANN-LA ROCHE INC. (US) 2010-01-12 US disclosed
CN-101370796-A Thiazoles as 11 beta-HSD1 inhibitors HOFFMANN LA ROCHE (CH) 2009-02-18 CN 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 TLR7 2132/4885LMNA 1948/4885MAPK1 1118/4885

“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.