SCHEMBL4861431

SCHEMBL4861431

CCOC(=O)COc1c(C)cc(N(CC)Cc2sc(-c3ccc(C(F)(F)F)cc3)nc2C)cc1C

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 18/20 0.50
PPARA Q07869 14/20 0.49
PPARG P37231 11/20 0.49
FFAR1 O14842 2/20 0.46
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
HSP90AA1 P07900 1/20 0.44
MAPT P10636 1/20 0.44
CRHBP P24387 1/20 0.44
KMT2A Q03164 1/20 0.44
CRHR2 Q13324 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
SCHEMBL4860779 0.91 PPARD (0.59) PPARDPPARAPPARGFFAR1
SCHEMBL4861815 0.88 FFAR1 (0.55) PPARDPPARAPPARGFFAR1KDM4E
SCHEMBL4852707 0.86 PPARD (0.47) PPARDPPARAPPARGFFAR1
SCHEMBL4853443 0.84 PPARD (0.59) PPARDPPARAPPARGFFAR1MAPT
SCHEMBL4853525 0.82 FFAR1 (0.62) PPARDPPARAPPARGFFAR1
SCHEMBL5692529 0.82 PPARD (0.54) PPARDPPARAPPARGFFAR1MAPT
SCHEMBL5692526 0.82 PPARD (0.54) PPARDPPARAPPARGFFAR1MAPT
SCHEMBL4853039 0.82 PPARD (0.62) PPARDPPARAPPARGFFAR1
SCHEMBL4853534 0.82 PPARD (0.70) PPARDPPARAPPARGFFAR1MEN1
SCHEMBL4854263 0.80 PPARD (0.65) PPARDPPARAPPARGFFAR1KDM4E

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 2/4885PPARA 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.