SCHEMBL4856484

SCHEMBL4856484

CCOC(=O)COc1c(C)cc(NCc2oc(-c3ccc(C(F)(F)F)cc3)nc2C)cc1C

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 7/20 0.52
PPARG P37231 5/20 0.52
PPARA Q07869 5/20 0.51
PTPN1 P18031 3/20 0.43
CETP P11597 4/20 0.40
IDH1 O75874 1/20 0.39
FFAR1 O14842 2/20 0.39
KDM4E B2RXH2 2/20 0.38
MAPT P10636 2/20 0.38
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MEN1 O00255 1/20 0.37
HSP90AA1 P07900 1/20 0.37
CRHBP P24387 1/20 0.37
KMT2A Q03164 1/20 0.37
CRHR2 Q13324 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
SCHEMBL4852696 0.83 PPARD (0.49) PPARDPPARGPPARAPTPN1CETP
SCHEMBL27630423 0.81 PPARD (0.50) PPARDPPARGPPARAPTPN1CETP
SCHEMBL4853525 0.80 FFAR1 (0.62) PPARDPPARGPPARAFFAR1
SCHEMBL4856754 0.79 PPARD (0.45) PPARDPPARGPPARAPTPN1CETP
SCHEMBL820652 0.77 PPARD (0.58) PPARDPPARGPPARAPTPN1KDM4E
SCHEMBL5515760 0.76 PPARD (0.82) PPARDPPARGPPARA
SCHEMBL5518641 0.75 PPARD (0.58) PPARDPPARGPPARAPTPN1CETP
SCHEMBL6237550 0.73 PPARD (0.81) PPARDPPARGPPARAPTPN1CETP
SCHEMBL4853408 0.73 PPARD (0.61) PPARDPPARGPPARAPTPN1FFAR1
SCHEMBL13334412 0.71 PPARD (0.52) PPARDPPARGPPARAPTPN1IDH1

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-7345067-B2 Aniline derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. (US) 2008-03-18 US disclosed
EP-1636198-A1 ANILINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2006-03-22 EP disclosed
WO-2004111020-A1 ANILINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2004-12-23 WO disclosed
US-20040248951-A1 Aniline derivatives, their manufacture and use as pharmaceuticals F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2004-12-09 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-20040248951-A1 Aniline derivatives, their manufacture and use as pharmaceuticals PPARA, PPARD, PPARG PPARD 2/4885PPARG 3/4885PPARA 1/4885

“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.