SCHEMBL4576109

SCHEMBL4576109

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

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.42
PTPN1 P18031 5/20 0.40
PPARD Q03181 3/20 0.39
EPHX2 P34913 2/20 0.39
NR1H4 Q96RI1 2/20 0.39
TRPM8 Q7Z2W7 2/20 0.38
LTB4R2 Q9NPC1 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
RAB9A P51151 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
PPARA Q07869 1/20 0.36
GLP1R P43220 1/20 0.36
GCGR P47871 1/20 0.36
GIPR P48546 1/20 0.36

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
SCHEMBL4575338 0.89 PPARA (0.42) PPARDTRPM8PPARA
SCHEMBL4575581 0.89 CYP2C19 (0.47) PTPN1PPARDTRPM8PPARA
SCHEMBL4575015 0.87 PPARD (0.47) PTPN1PPARDTRPM8PPARA
SCHEMBL4575175 0.87 TRPM8 (0.39) EPHX2NR1H4TRPM8
SCHEMBL4575101 0.85 FFAR1 (0.41) SMN1; SMN2PTPN1PPARDTRPM8LTB4R2
SCHEMBL4574756 0.85 PPARA (0.48) PPARDMEN1KMT2APPARA
SCHEMBL4575468 0.82 ALDH1A1 (0.46) SMN1; SMN2PTPN1PPARDTRPM8MEN1
SCHEMBL4575080 0.81 PPARA (0.47) PPARDTRPM8PPARA
SCHEMBL4574823 0.81 NR1H2 (0.40) EPHX2NR1H4TRPM8
SCHEMBL4575614 0.81 TRPM8 (0.37) TRPM8MEN1KMT2AGCGRGIPR

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 SMN1; SMN2 3258/4885PTPN1 1567/4885PPARD 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.