SCHEMBL4575149

SCHEMBL4575149

CCc1cnc(N(CCc2ccc(OCC(=O)O)c(F)c2)Cc2ccc(C(F)(F)F)cc2)nc1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 18/20 0.45
FFAR1 O14842 2/20 0.45
PPARA Q07869 6/20 0.43
PPARG P37231 4/20 0.43
PTPN1 P18031 1/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.39

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
SCHEMBL4575701 0.91 PPARD (0.53) PPARDFFAR1PPARAPPARG
SCHEMBL4574642 0.90 PTPN1 (0.43) PPARDPPARAPPARGPTPN1
SCHEMBL4575436 0.88 PPARA (0.49) PPARDPPARAPPARGPTGDR2
SCHEMBL4575153 0.87 PPARA (0.40) PPARDFFAR1PPARAPPARGPTGDR2
SCHEMBL4575012 0.86 PPARD (0.47) PPARDFFAR1PPARAPPARGPTPN1
SCHEMBL4575352 0.83 CYP19A1 (0.34)
SCHEMBL4575326 0.82 PPARD (0.41) PPARDFFAR1PPARAPPARGPTPN1
SCHEMBL4575688 0.81 PPARD (0.52) PPARD
SCHEMBL4575849 0.81 CYP1A2 (0.47) PTPN1
SCHEMBL4575177 0.80 PPARD (0.43) PPARDPPARAPTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7319104-B2 hPPARs activators SMITHKLINE BEECHAM CORPORATION (US) 2008-01-15 US claimed
US-20050137212-A1 Hppars activators SMITHKLINE BEECHAM CORPORATION 2005-06-23 US claimed
EP-1480957-A1 HPPARS ACTIVATORS SMITHKLINE BEECHAM CORPORATION (US) 2004-12-01 EP claimed
WO-2003074495-A1 HPPARS ACTIVATORS SMITHKLINE BEECHAM CORPORATION (US) 2003-09-12 WO claimed
US-7319104-B2 hPPARs activators SMITHKLINE BEECHAM CORPORATION (US) 2008-01-15 US disclosed
US-7319104-B2 hPPARs activators SMITHKLINE BEECHAM CORPORATION (US) 2008-01-15 US disclosed
US-7319104-B2 hPPARs activators SMITHKLINE BEECHAM CORPORATION (US) 2008-01-15 US disclosed
US-20050137212-A1 Hppars activators SMITHKLINE BEECHAM CORPORATION 2005-06-23 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-20050137212-A1 Hppars activators PPARG, PPARA, PPARD PPARD 3/4885FFAR1 16/4885PPARA 2/4885

“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.