SCHEMBL4576163

SCHEMBL4576163

CCOC(=O)C(C)(C)Oc1ccc(CCN(Cc2ccc(OC(F)(F)F)cc2)c2ccc(C(C)=O)cn2)cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 16/20 0.43
ABCB11 O95342 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
HTR2A P28223 1/20 0.41
PMP22 Q01453 1/20 0.41
PPARA Q07869 1/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
VNN1 O95497 1/20 0.38
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
NCOR2 Q9Y618 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
SCHEMBL4575691 0.93 MAOB (0.44) TRPM8ABCB11CYP1A2CYP3A4TSHR
SCHEMBL4574849 0.90 PPARA (0.42) TRPM8ABCB11CYP1A2CYP3A4TSHR
SCHEMBL4575178 0.89 PPARA (0.41) TRPM8ABCB11CYP1A2CYP3A4TSHR
SCHEMBL4574809 0.89 PPARA (0.41) TRPM8ABCB11CYP1A2CYP3A4TSHR
SCHEMBL4575876 0.89 FBP1 (0.40) TRPM8ABCB11CYP1A2CYP3A4TSHR
SCHEMBL4575588 0.89 FBP1 (0.41) TRPM8ABCB11CYP1A2CYP3A4TSHR
SCHEMBL4576149 0.88 PPARA (0.40) TRPM8ABCB11CYP1A2CYP3A4TSHR
SCHEMBL4575496 0.88 PPARA (0.43) TRPM8ABCB11CYP1A2CYP3A4TSHR
SCHEMBL4576065 0.87 MAOB (0.40) ABCB11CYP1A2CYP3A4TSHRHTR2A
SCHEMBL4574835 0.86 PPARA (0.39) TRPM8ABCB11CYP1A2CYP3A4TSHR

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 TRPM8 1027/4885ABCB11 358/4885CYP1A2 668/4885

“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.