SCHEMBL4851663

SCHEMBL4851663

Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1CNc1ccc(OCC(=O)O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 15/20 1.00
PPARD Q03181 8/20 0.67
PPARA Q07869 5/20 0.67
PPARG P37231 4/20 0.67

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
SCHEMBL4860526 0.90 FFAR1 (0.81) FFAR1PPARDPPARAPPARG
SCHEMBL4858508 0.87 FFAR1 (0.77) FFAR1PPARDPPARAPPARG
SCHEMBL6238582 0.86 FFAR1 (0.76) FFAR1PPARDPPARAPPARG
SCHEMBL3814837 0.82 PPARD (0.78) FFAR1PPARDPPARAPPARG
SCHEMBL27650472 0.82 FFAR1 (0.72) FFAR1PPARDPPARAPPARG
SCHEMBL4858253 0.82 FFAR1 (0.69) FFAR1PPARDPPARAPPARG
SCHEMBL4858346 0.80 FFAR1 (0.67) FFAR1PPARDPPARAPPARG
SCHEMBL4860828 0.79 FFAR1 (0.65) FFAR1PPARDPPARAPPARG
SCHEMBL3740273 0.78 FFAR1 (1.00) FFAR1PPARDPPARAPPARG
SCHEMBL3739526 0.78 FFAR1 (1.00) 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 6 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 claimed
US-20040248951-A1 Aniline derivatives, their manufacture and use as pharmaceuticals F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2004-12-09 US claimed
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.