SCHEMBL4854322

SCHEMBL4854322

CCOC(=O)COc1ccc(N(Cc2sc(-c3ccc(C(F)(F)F)cc3)nc2C)C(=O)OC(C)(C)C)cc1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 5/20 0.51
PPARD Q03181 16/20 0.50
PPARA Q07869 12/20 0.50
PPARG P37231 7/20 0.50
CHRM5 P08912 1/20 0.42
SLC6A3 Q01959 1/20 0.42

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
SCHEMBL4852707 0.89 PPARD (0.47) FFAR1PPARDPPARAPPARG
SCHEMBL4854263 0.86 PPARD (0.65) FFAR1PPARDPPARAPPARG
SCHEMBL4861815 0.85 FFAR1 (0.55) FFAR1PPARDPPARAPPARG
SCHEMBL27630341 0.85 PPARD (0.53) FFAR1PPARDPPARAPPARG
SCHEMBL4854448 0.82 PPARD (0.55) FFAR1PPARDPPARAPPARG
SCHEMBL27650490 0.80 PPARD (0.53) FFAR1PPARDPPARAPPARG
SCHEMBL12431568 0.78 PPARD (0.64) FFAR1PPARDPPARAPPARG
SCHEMBL4860526 0.78 FFAR1 (0.81) FFAR1PPARDPPARAPPARG
SCHEMBL4853039 0.77 PPARD (0.62) FFAR1PPARDPPARAPPARG
SCHEMBL4858346 0.77 FFAR1 (0.67) FFAR1PPARDPPARAPPARG

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 FFAR1 24/4885PPARD 2/4885PPARA 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.