Sugi Predict

Sugi Predict / Compounds / SCHEMBL3545577

SCHEMBL3545577

SCHEMBL3545577

COc1ccc(OC)c(-c2nc(C(=O)N3CCCC4CCCC=C43)cs2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.43
▸ HPGD P15428 5/20 0.43
▸ MAPT P10636 3/20 0.43
▸ TSHR P16473 2/20 0.43
▸ PLA2G1B P04054 1/20 0.43
▸ ATG4B Q9Y4P1 1/20 0.43
▸ REV1 Q9UBZ9 1/20 0.38
▸ SCD5 Q86SK9 1/20 0.38
▸ LMNA P02545 2/20 0.38
▸ USP2 O75604 1/20 0.38
▸ KDM4E B2RXH2 3/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ KMT2A Q03164 4/20 0.37
▸ GFER P55789 1/20 0.37
▸ MEN1 O00255 3/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ HTT P42858 2/20 0.37
▸ TRPC3 Q13507 2/20 0.37
▸ TRPC6 Q9Y210 2/20 0.37
▸ IRAK4 Q9NWZ3 1/20 0.37

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
SCHEMBL3538068 0.91 CPT1A (0.41) ALDH1A1HPGDMAPTTSHRPLA2G1B
SCHEMBL3544618 0.91 CCNT1 (0.40) ALDH1A1
SCHEMBL3538082 0.89 SHMT2 (0.43) ALDH1A1HPGDMAPTTSHRPLA2G1B
SCHEMBL3545771 0.87 ALDH1A1 (0.53) ALDH1A1HPGDMAPTTSHRLMNA
SCHEMBL3537875 0.87 ALDH1A1 (0.37) ALDH1A1HPGDMAPTTSHRPLA2G1B
SCHEMBL3537684 0.87 KDM4E (0.44) ALDH1A1HPGDMAPTTSHRLMNA
SCHEMBL3541503 0.85 RAB9A (0.38) ALDH1A1KDM4EKMT2ATRPC3TRPC6
SCHEMBL3537377 0.85 ALDH1A1 (0.43) ALDH1A1HPGDMAPTTSHRSCD5
SCHEMBL3540873 0.84 ALDH1A1 (0.47) ALDH1A1HPGDSCD5KDM4EHSD17B10
SCHEMBL3542155 0.84 PIM1 (0.42) ALDH1A1HPGDSCD5KDM4EHSD17B10

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 5 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
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
CN-101370796-A Thiazoles as 11 beta-HSD1 inhibitors HOFFMANN LA ROCHE (CH) 2009-02-18 — — CN 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 ALDH1A1 707/4885HPGD 1113/4885MAPT 3282/4885

“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.