SCHEMBL4575581

SCHEMBL4575581

CCc1cnc(N(Cc2ccc(OC(F)(F)F)cc2)CC(C)(C)c2ccc(OCC(=O)O)c(Cl)c2)nc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.47
PPARD Q03181 11/20 0.42
PPARA Q07869 3/20 0.42
PTPN1 P18031 2/20 0.41
TRPM8 Q7Z2W7 1/20 0.40
MRGPRX4 Q96LA9 2/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.38
FFAR1 O14842 1/20 0.38
PPARG P37231 1/20 0.37
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
RXRG P48443 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
SCHEMBL4575080 0.90 PPARA (0.47) PPARDPPARATRPM8MRGPRX4PPARG
SCHEMBL4576109 0.89 SMN1; SMN2 (0.42) PPARDPPARAPTPN1TRPM8
SCHEMBL4575015 0.88 PPARD (0.47) PPARDPPARAPTPN1TRPM8PPARG
SCHEMBL4576134 0.86 PPARD (0.43) CYP2C19PPARDPPARAPTPN1MRGPRX4
SCHEMBL4575710 0.85 NR1H2 (0.39) PPARDPPARATRPM8RXRA
Phenol SCHEMBL4575505 0.82 TRPM8 (0.37) TRPM8MRGPRX4
SCHEMBL4575338 0.82 PPARA (0.42) PPARDPPARATRPM8PPARG
SCHEMBL4575134 0.80 PPARA (0.41) PPARDPPARATRPM8PPARG
SCHEMBL4575175 0.80 TRPM8 (0.39) TRPM8RXRA
SCHEMBL4575688 0.78 PPARD (0.52) PPARD

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 CYP2C19 348/4885PPARD 3/4885PPARA 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.