SCHEMBL4574642

SCHEMBL4574642

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

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
PPARD Q03181 11/20 0.42
PPARA Q07869 4/20 0.42
PPARG P37231 2/20 0.42
NR3C1 P04150 1/20 0.40
ALDH1A1 P00352 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PKM P14618 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
SCHEMBL4575849 0.92 CYP1A2 (0.47) PTPN1CYP1A2CYP2D6CYP2C19ALDH1A1
SCHEMBL4575177 0.90 PPARD (0.43) PTPN1CYP1A2CYP2D6CYP2C19PPARD
SCHEMBL4575149 0.90 PPARD (0.45) PTPN1PPARDPPARAPPARG
SCHEMBL4575701 0.90 PPARD (0.53) PPARDPPARAPPARG
SCHEMBL4575350 0.88 PPARA (0.40) PPARDPPARAPPARGNR3C1
SCHEMBL4575187 0.87 PPARA (0.38) CYP1A2CYP2D6CYP2C19PPARDPPARA
SCHEMBL4575012 0.85 PPARD (0.47) PTPN1PPARDPPARAPPARG
SCHEMBL4576048 0.84 MAOB (0.36) CYP1A2CYP2D6CYP2C19PPARDPPARA
SCHEMBL4575226 0.83 CYP19A1 (0.33) CYP2D6PPARDPPARAPPARGHSD17B10
SCHEMBL4575326 0.81 PPARD (0.41) PTPN1PPARDPPARAPPARG

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
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
EP-1480957-A1 HPPARS ACTIVATORS SMITHKLINE BEECHAM CORPORATION (US) 2004-12-01 EP disclosed
WO-2003074495-A1 HPPARS ACTIVATORS SMITHKLINE BEECHAM CORPORATION (US) 2003-09-12 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-20050137212-A1 Hppars activators PPARG, PPARA, PPARD PTPN1 1567/4885CYP1A2 668/4885CYP2D6 620/4885

“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.