SCHEMBL1550193

SCHEMBL1550193

CCOC(=O)CCc1ccc(OCc2cnc(-c3ccc(C(F)(F)F)cc3)nc2C2CC2)c(OCC)c1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.45
MAPT P10636 1/20 0.45
FFAR4 Q5NUL3 2/20 0.39
FFAR1 O14842 2/20 0.39
FFAR2 O15552 1/20 0.39
SSTR5 P35346 1/20 0.39
SYK P43405 4/20 0.38
MAOB P27338 1/20 0.38
S1PR1 P21453 1/20 0.38
S1PR3 Q99500 1/20 0.38
S1PR5 Q9H228 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.36
PPARD Q03181 3/20 0.36
PPARA Q07869 2/20 0.36
GSTP1 P09211 1/20 0.36
EPHX2 P34913 1/20 0.36
KMT2A Q03164 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
SCHEMBL1549554 0.92 FFAR4 (0.46) TP53MAPTFFAR4FFAR1FFAR2
SCHEMBL4424009 0.85 TRPM2 (0.40) FFAR4FFAR1FFAR2SYKMAOB
SCHEMBL4430360 0.84 PPARG (0.41) FFAR4MAOBMRGPRX4PPARDPPARA
SCHEMBL1550166 0.83 PPARD (0.49) FFAR4FFAR1MAOBPPARDPPARA
SCHEMBL1549449 0.80 TP53 (0.45) TP53MAPTFFAR4FFAR1FFAR2
SCHEMBL1550099 0.79 GSTP1 (0.41) MAPTMAOBMRGPRX4PPARDPPARA
SCHEMBL1549973 0.76 PPARD (0.47) MRGPRX4PPARDPPARAGSTP1
SCHEMBL1549914 0.76 PPARD (0.40) FFAR4FFAR1MAOBS1PR1S1PR3
SCHEMBL5668158 0.76 PPARD (0.48) PPARDPPARA
SCHEMBL28758102 0.76 MCHR1 (0.40) FFAR1MAOBGSTP1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2314576-A1 Phenyl derivatives as PPAR agonists F.HOFFMANN-LA ROCHE AG (CH) 2011-04-27 EP disclosed
US-7115611-B2 Phenyl derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. (US) 2006-10-03 US disclosed
EP-1682508-A1 PHENYL DERIVATIVES AS PPAR AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2006-07-26 EP disclosed
WO-2005049573-A1 PHENYL DERIVATIVES AS PPAR AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2005-06-02 WO disclosed
US-20050096337-A1 Phenyl derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. 2005-05-05 US 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-20050096337-A1 Phenyl derivatives, their manufacture and use as pharmaceutical agents PPARD, PPARA, PPARG TP53 2484/4885MAPT 2957/4885FFAR4 6/4885

“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.