SCHEMBL4575235

SCHEMBL4575235

CCOC(=O)C(C)(C)Oc1ccc(CCN(Cc2ccc(C(F)(F)F)cc2)c2nc(-c3cccc(Cl)c3)cs2)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 6/20 0.41
ABCB11 O95342 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
HTR2A P28223 1/20 0.40
PMP22 Q01453 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
GCGR P47871 6/20 0.39
GIPR P48546 6/20 0.39
PPARG P37231 3/20 0.39
PPARD Q03181 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
UCHL1 P09936 1/20 0.38
USP30 Q70CQ3 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAOB P27338 1/20 0.36
PTPRB P23467 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
SCHEMBL4575414 0.92 PPARA (0.49) PPARAMAPTKMT2AGCGRGIPR
SCHEMBL4575281 0.83 PPARA (0.48) PPARAMAPTKMT2AGCGRGIPR
SCHEMBL4575204 0.83 PPARA (0.51) PPARAMAPTGCGRGIPRPPARG
SCHEMBL4575381 0.82 PPARA (0.54) PPARAMAPTKMT2AGCGRGIPR
SCHEMBL4575833 0.81 PPARA (0.53) PPARAKMT2AGCGRGIPRPPARG
SCHEMBL4574610 0.79 PPARA (0.56) PPARAKMT2AGCGRGIPRPPARG
SCHEMBL4575434 0.78 PPARA (0.49) PPARAGCGRGIPRPPARGPPARD
SCHEMBL4575565 0.78 PPARA (0.53) PPARAGCGRGIPRPPARGPPARD
SCHEMBL4575150 0.75 PPARA (0.47) PPARAGCGRGIPRPPARGPPARD
SCHEMBL4574779 0.75 PPARA (0.50) PPARAMAPTPPARGPPARDALDH1A1

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 4 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-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 PPARA 2/4885ABCB11 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.