SCHEMBL4575468

SCHEMBL4575468

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

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
TSHR P16473 1/20 0.46
HRH3 Q9Y5N1 4/20 0.40
CETP P11597 3/20 0.37
PPARD Q03181 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TRPM8 Q7Z2W7 2/20 0.36
PDE2A O00408 4/20 0.36
PDE3A Q14432 1/20 0.36
PDE10A Q9Y233 1/20 0.36
PTPN1 P18031 1/20 0.35

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
SCHEMBL4576118 0.89 PPARA (0.41) PPARDTRPM8
SCHEMBL4575570 0.87 RXRA (0.39) ALDH1A1TSHRHRH3CETPTRPM8
SCHEMBL4575890 0.86 LMNA (0.40) ALDH1A1TSHRCETPMEN1KMT2A
SCHEMBL4575101 0.84 FFAR1 (0.41) HRH3PPARDMEN1KMT2ASMN1; SMN2
SCHEMBL4576109 0.82 SMN1; SMN2 (0.42) HRH3PPARDMEN1KMT2ASMN1; SMN2
SCHEMBL4575012 0.76 PPARD (0.47) PPARDSMN1; SMN2PTPN1
SCHEMBL4575688 0.75 PPARD (0.52) PPARD
SCHEMBL4575177 0.75 PPARD (0.43) ALDH1A1PPARDPTPN1
SCHEMBL4576134 0.75 PPARD (0.43) PPARDPTPN1
SCHEMBL4574806 0.75 PPARA (0.44) CETPPPARD

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 ALDH1A1 645/4885TSHR 1136/4885HRH3 806/4885

“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.