SCHEMBL4856522

SCHEMBL4856522

COc1cc(N(C)Cc2sc(-c3ccc(C(F)(F)F)cc3)nc2C)ccc1OCC(=O)O

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 18/20 0.62
PPARA Q07869 12/20 0.62
PPARG P37231 8/20 0.62
FFAR1 O14842 2/20 0.60
MAPT P10636 1/20 0.52

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
SCHEMBL4854429 0.92 PPARD (0.57) PPARDPPARAPPARGFFAR1MAPT
SCHEMBL4852816 0.91 PPARD (0.71) PPARDPPARAPPARGFFAR1
SCHEMBL4856505 0.91 PPARD (0.57) PPARDPPARAPPARGFFAR1MAPT
SCHEMBL4858338 0.90 PPARD (0.63) PPARDPPARAPPARGFFAR1MAPT
SCHEMBL4851631 0.90 PPARD (0.71) PPARDPPARAPPARGFFAR1MAPT
SCHEMBL4854426 0.90 PPARD (0.63) PPARDPPARAPPARGFFAR1
SCHEMBL4854324 0.90 PPARD (0.62) PPARDPPARAPPARGFFAR1
SCHEMBL4851676 0.90 PPARD (0.62) PPARDPPARAPPARGFFAR1
SCHEMBL4858271 0.86 PPARD (0.58) PPARDPPARAPPARGFFAR1MAPT
SCHEMBL4858253 0.86 FFAR1 (0.69) PPARDPPARAPPARGFFAR1

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 8 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
EP-1636198-A1 ANILINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2006-03-22 EP claimed
WO-2004111020-A1 ANILINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2004-12-23 WO 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 PPARD 2/4885PPARA 1/4885PPARG 3/4885

“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.