SCHEMBL3535269

SCHEMBL3535269

O=C(c1csc(-c2ccc(F)c(Cl)c2)n1)N1CCCC2CCCC=C21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UCHL1 P09936 1/20 0.39
USP30 Q70CQ3 1/20 0.39
EIF4E P06730 5/20 0.37
HTR2C P28335 5/20 0.37
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 1/20 0.36
MDM2 Q00987 2/20 0.36
TRPC3 Q13507 1/20 0.35
TRPC6 Q9Y210 1/20 0.35
CLK1 P49759 1/20 0.35
KMT2A Q03164 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
ABL1 P00519 1/20 0.35
PTPN1 P18031 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
GAA P10253 1/20 0.34
RAB9A P51151 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
SCHEMBL3540045 0.90 KDM4E (0.39) EIF4EHTR2CKDM4EALDH1A1CLK1
SCHEMBL3542690 0.88 RAB9A (0.45) HTR2CKDM4EALDH1A1TRPC3TRPC6
SCHEMBL3538100 0.87 KDM4E (0.38) EIF4EHTR2CKDM4EALDH1A1CLK1
SCHEMBL3538095 0.87 HTR2C (0.37) EIF4EHTR2CKDM4EALDH1A1TRPC3
SCHEMBL3541008 0.87 TLR7 (0.45) UCHL1HTR2CKDM4EALDH1A1KMT2A
SCHEMBL3543877 0.84 HTR2C (0.40) EIF4EHTR2CTRPC3TRPC6
SCHEMBL3537435 0.84 PRKD3 (0.44) HTR2CKDM4EKMT2ARAB9A
SCHEMBL3537642 0.83 ACKR3 (0.38) HTR2CKDM4EALDH1A1CLK1KMT2A
SCHEMBL3545134 0.82 ACKR3 (0.46) USP30
SCHEMBL3539439 0.82 ALDH1A1 (0.48) KDM4EALDH1A1TRPC3TRPC6CLK1

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 UCHL1 3548/4885USP30 3845/4885EIF4E 3300/4885

“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.