SCHEMBL6236846

SCHEMBL6236846

COc1cc(CCC(=O)O)ccc1OCc1oc(-c2ccc(C(F)(F)F)cc2)nc1C

nearest known ligand 0.74

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 12/20 0.74
PPARA Q07869 7/20 0.74
PPARG P37231 6/20 0.74
VDR P11473 3/20 0.55
FFAR4 Q5NUL3 4/20 0.55
FFAR1 O14842 2/20 0.55
FFAR2 O15552 1/20 0.55
S1PR1 P21453 1/20 0.48
S1PR5 Q9H228 1/20 0.48

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
SCHEMBL6236852 0.85 PPARD (1.00) PPARDPPARAPPARGVDRFFAR4
SCHEMBL6243768 0.81 PPARD (0.73) PPARDPPARAPPARGFFAR4FFAR1
SCHEMBL6237180 0.80 PPARD (0.63) PPARDPPARAPPARGVDRFFAR1
SCHEMBL6233498 0.78 PPARD (0.76) PPARDPPARAPPARGVDRFFAR4
SCHEMBL6233944 0.77 PPARD (0.56) PPARDPPARAPPARGVDRFFAR1
SCHEMBL3905473 0.76 FFAR4 (0.61) PPARDPPARAPPARGFFAR4FFAR1
SCHEMBL6236951 0.76 PPARD (0.79) PPARDPPARAPPARGVDRFFAR4
SCHEMBL5102189 0.76 PPARG (0.60) PPARDPPARAPPARGVDRFFAR4
SCHEMBL6238213 0.75 PPARD (1.00) PPARDPPARAPPARGFFAR1
SCHEMBL27554802 0.75 PPARD (0.61) PPARDPPARAPPARGVDRFFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1189895-B8 THIAZOLE AND OXAZOLE DERIVATIVES AND THEIR PHARMACEUTICAL USE SMITHKLINE BEECHAM CORP (US) 2005-11-09 EP disclosed
EP-1189895-B1 THIAZOLE AND OXAZOLE DERIVATIVES AND THEIR PHARMACEUTICAL USE SMITHKLINE BEECHAM CORP (US) 2005-06-08 EP disclosed
US-6723740-B2 ADMINISTERING THERAPEUTIC AMOUNT OF HUMAN PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR DELTA AGONIST TO LOWER TRIGLYCERIDES SMITHKLINE BEECHAM CORPORATION 2004-04-20 US disclosed
US-20030203947-A1 Administration of a therapeutic amount of a 1,3-thiazole-5-yl methylsulfanyl or 1,3-oxazole-5-yl methylsulfanyl derivative to a patient for lowering triglycerides CHAO ESTHER YU-HSUAN (US) 2003-10-30 US disclosed
EP-1189895-A1 THIAZOLE AND OXAZOLE DERIVATIVES AND THEIR PHARMACEUTICAL USE GLAXO GROUP LIMITED (GB) 2002-03-27 EP disclosed
WO-2001000603-A1 THIAZOLE AND OXAZOLE DERIVATIVES AND THEIR PHARMACEUTICAL USE GLAXO GROUP LIMITED (GB) 2001-01-04 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-20030203947-A1 Administration of a therapeutic amount of a 1,3-thiazole-5-yl methylsulfanyl or 1,3-oxazole-5-yl methylsulfanyl derivative to a patient for lowering triglycerides PPARA, PPARD, PPARG PPARD 2/4885PPARA 1/4885PPARG 3/4885

“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.