SCHEMBL4852853

SCHEMBL4852853

CCN(Cc1cnc(-c2ccc(C(F)(F)F)cc2)s1)c1ccc(OCC(=O)O)cc1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 16/20 0.53
FFAR1 O14842 3/20 0.50
PPARA Q07869 5/20 0.48
PTPN1 P18031 1/20 0.48
PPARG P37231 5/20 0.47
TRPM8 Q7Z2W7 1/20 0.45
LTB4R2 Q9NPC1 1/20 0.44

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
SCHEMBL4858346 0.84 FFAR1 (0.67) PPARDFFAR1PPARAPPARG
SCHEMBL27630355 0.83 NR1H2 (0.44) PPARDPPARAPPARG
SCHEMBL4858415 0.77 PPARD (0.69) PPARDPPARAPPARG
SCHEMBL4861815 0.75 FFAR1 (0.55) PPARDFFAR1PPARAPPARG
SCHEMBL4858253 0.74 FFAR1 (0.69) PPARDFFAR1PPARAPPARG
SCHEMBL4853534 0.72 PPARD (0.70) PPARDFFAR1PPARAPPARG
SCHEMBL6715128 0.72 PPARD (0.62) PPARDFFAR1PPARAPPARG
SCHEMBL2111994 0.71 PPARD (0.68) PPARDPPARAPTPN1PPARG
Hydrochloric Acid SCHEMBL18641465 0.71 LOXL2 (0.43) PPARDFFAR1PTPN1PPARG
SCHEMBL13855040 0.71 PPARD (0.63) PPARDFFAR1PPARAPPARG

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 2/4885FFAR1 24/4885PPARA 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.