SCHEMBL2874504

SCHEMBL2874504

CCOC(=O)COc1cc(C)c(Sc2ccc(CNc3ccc(C(F)(F)F)cc3)cc2C)cc1C

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 11/20 0.50
PPARA Q07869 10/20 0.50
ESR1 P03372 1/20 0.42
IDH1 O75874 2/20 0.42
PPARG P37231 7/20 0.41
FFAR1 O14842 1/20 0.40
MAPT P10636 1/20 0.39
PDE5A O76074 1/20 0.38
KCNQ3 O43525 2/20 0.38
KCNQ2 O43526 2/20 0.38
KCNQ4 P56696 1/20 0.37
KCNQ5 Q9NR82 1/20 0.37

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
SCHEMBL29459594 0.90 PPARD (0.58) PPARDPPARAPPARGFFAR1
SCHEMBL2869616 0.90 PPARD (0.58) PPARDPPARAPPARGFFAR1
SCHEMBL13513779 0.83 PPARD (0.56) PPARDPPARAPPARGFFAR1
SCHEMBL13513783 0.81 PPARD (0.61) PPARDPPARAPPARGFFAR1
SCHEMBL2867738 0.81 PPARD (0.62) PPARDPPARAPPARGPDE5A
SCHEMBL2867717 0.79 PPARD (0.61) PPARDPPARAPPARG
SCHEMBL2874509 0.79 IDH1 (0.50) PPARDPPARAIDH1PPARGFFAR1
SCHEMBL13513792 0.78 PPARD (0.75) PPARDPPARAPPARG
SCHEMBL14526047 0.77 PPARD (0.51) PPARDPPARAESR1FFAR1
SCHEMBL2869618 0.74 PPARA (0.46) PPARDPPARAIDH1PPARGFFAR1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1435946-B1 LINKED BIARYL COMPOUNDS AMGEN INC (US) 2013-11-06 EP disclosed
US-7645779-B2 Linked biaryl compounds AMGEN INC. (US) 2010-01-12 US disclosed
US-7645779-B2 Linked biaryl compounds AMGEN INC. (US) 2010-01-12 US disclosed
US-7645779-B2 Linked biaryl compounds AMGEN INC. (US) 2010-01-12 US disclosed
US-20080161351-A1 Linked biaryl compounds TULARIK INC. 2008-07-03 US disclosed
US-20080161351-A1 Linked biaryl compounds TULARIK INC. 2008-07-03 US disclosed
US-20080161351-A1 Linked biaryl compounds TULARIK INC. 2008-07-03 US disclosed
EP-1435946-A4 LINKED BIARYL COMPOUNDS TULARIK INC (US) 2006-02-01 EP disclosed
US-6869975-B2 Linked biaryl compounds TULARIK INC. (US) 2005-03-22 US disclosed
EP-1435946-A2 LINKED BIARYL COMPOUNDS Tularik Inc. (US) 2004-07-14 EP disclosed
US-20030149108-A1 Linked biaryl compounds TULARIK INC. 2003-08-07 US disclosed
WO-2003024395-A2 LINKED BIARYL COMPOUNDS TULARIK INC. (US) 2003-03-27 WO 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 (2 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-20030149108-A1 Linked biaryl compounds SREBF2, SREBF1, ACACB PPARD 55/4885PPARA 89/4885ESR1 1723/4885
US-20080161351-A1 Linked biaryl compounds SREBF2, SREBF1, ACACB PPARD 55/4885PPARA 89/4885ESR1 1723/4885

“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.