SCHEMBL4575101

SCHEMBL4575101

CCc1cnc(N(CCc2ccc(OCC(=O)O)cc2)Cc2ccc(OC(F)(F)F)cc2)nc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
PPARD Q03181 5/20 0.40
HRH3 Q9Y5N1 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PPARA Q07869 2/20 0.38
TRPM8 Q7Z2W7 1/20 0.38
DAGLA Q9Y4D2 2/20 0.38
PPARG P37231 1/20 0.38
PTPN1 P18031 2/20 0.38
LPAR1 Q92633 1/20 0.38
LPAR2 Q9HBW0 1/20 0.38
LTB4R2 Q9NPC1 1/20 0.37
PTGIR P43119 1/20 0.37
VNN1 O95497 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
SCHEMBL4575012 0.91 PPARD (0.47) FFAR1FFAR4PPARDSMN1; SMN2PPARA
SCHEMBL4575688 0.88 PPARD (0.52) PPARD
SCHEMBL4575828 0.88 PPARA (0.47) PPARDPPARAPPARG
SCHEMBL4575177 0.87 PPARD (0.43) PPARDPPARAPTPN1
SCHEMBL4576134 0.87 PPARD (0.43) PPARDPPARAPTPN1
SCHEMBL4576287 0.86 PPARD (0.43) PPARDPPARATRPM8PPARGPTPN1
SCHEMBL4575060 0.86 BCHE (0.43) FFAR1FFAR4MEN1KMT2ATRPM8
SCHEMBL4576109 0.85 SMN1; SMN2 (0.42) PPARDHRH3MEN1KMT2ASMN1; SMN2
SCHEMBL4575643 0.85 DAGLA (0.40) TRPM8DAGLAPPARG
SCHEMBL4574806 0.85 PPARA (0.44) FFAR1PPARDPPARAPPARGLPAR1

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 10 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
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 FFAR1 16/4885FFAR4 42/4885PPARD 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.