SCHEMBL1550194

SCHEMBL1550194

CCOC(=O)C(C)(C)Oc1ccc(CNC(=O)c2cnc(-c3ccc(C(F)(F)F)cc3)cc2C(F)(F)F)c(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.40
NR1H4 Q96RI1 3/20 0.40
KDM1A O60341 1/20 0.40
HDAC1 Q13547 1/20 0.40
LMNA P02545 1/20 0.40
PPARD Q03181 8/20 0.39
PPARA Q07869 6/20 0.39
MAPT P10636 1/20 0.39
POLB P06746 1/20 0.38
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
ABCB11 O95342 1/20 0.38
TSHR P16473 1/20 0.38
HTR2A P28223 1/20 0.38
PMP22 Q01453 1/20 0.38
FBP1 P09467 1/20 0.38
PPARG P37231 3/20 0.38
P2RX7 Q99572 1/20 0.37
CYP2C19 P33261 1/20 0.37
RECQL P46063 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
SCHEMBL1549678 0.90 PPARA (0.47) EPHX2NR1H4KDM1AHDAC1LMNA
SCHEMBL1549186 0.88 KDM1A (0.51) EPHX2NR1H4KDM1AHDAC1PPARD
SCHEMBL5667232 0.86 PPARA (0.42) EPHX2NR1H4LMNAPPARDPPARA
SCHEMBL1549843 0.85 PPARD (0.42) EPHX2NR1H4PPARDPPARACYP1A2
SCHEMBL1550163 0.83 EPHX2 (0.40) EPHX2NR1H4PPARDPPARAPPARG
SCHEMBL1550809 0.83 EPHX2 (0.40) EPHX2NR1H4LMNAPPARDPPARA
SCHEMBL1549989 0.82 EPHX2 (0.39) EPHX2NR1H4LMNAPPARDPPARA
SCHEMBL1549493 0.78 PPARA (0.61) KDM1AHDAC1PPARDPPARAPPARG
SCHEMBL1549559 0.77 PPARA (0.51) PPARDPPARAPPARG
SCHEMBL1377765 0.75 PPARA (0.52) EPHX2NR1H4PPARDPPARAPPARG

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 EPHX2 1510/4885NR1H4 27/4885KDM1A 1272/4885

“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.