SCHEMBL2874509

SCHEMBL2874509

CCOC(=O)C(C)Oc1ccc(Sc2ccc(CNc3ccc(C(F)(F)F)cc3)cc2C)c(C)c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 1/20 0.50
PPARA Q07869 3/20 0.45
PPARD Q03181 2/20 0.45
KMT2A Q03164 1/20 0.43
EPHX2 P34913 3/20 0.43
FFAR1 O14842 3/20 0.40
PPARG P37231 1/20 0.39
PSMB5 P28074 1/20 0.39
KCNQ3 O43525 2/20 0.38
KCNQ2 O43526 2/20 0.38
KCNQ4 P56696 1/20 0.38
KCNQ5 Q9NR82 1/20 0.38
ADRA2A P08913 1/20 0.38
CACNA1B Q00975 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
LMNA P02545 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
FFAR4 Q5NUL3 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
SCHEMBL2869618 0.90 PPARA (0.46) IDH1PPARAPPARDEPHX2FFAR1
SCHEMBL2874504 0.79 PPARD (0.50) IDH1PPARAPPARDFFAR1PPARG
SCHEMBL13513783 0.76 PPARD (0.61) PPARAPPARDFFAR1PPARG
SCHEMBL3990976 0.75 IDH1 (0.58) IDH1PPARAPPARDKMT2AEPHX2
SCHEMBL29459594 0.75 PPARD (0.58) PPARAPPARDFFAR1PPARG
SCHEMBL2869616 0.75 PPARD (0.58) PPARAPPARDFFAR1PPARG
SCHEMBL11516273 0.73 IDH1 (0.53) IDH1PPARAPPARDKMT2AEPHX2
SCHEMBL13513792 0.73 PPARD (0.75) PPARAPPARDPPARG
SCHEMBL30795662 0.72 KCNQ2 (0.62) IDH1PPARAKMT2AFFAR1KCNQ3
SCHEMBL3109805 0.72 KCNQ2 (0.62) IDH1PPARAKMT2AFFAR1KCNQ3

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
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-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 IDH1 357/4885PPARA 89/4885PPARD 55/4885
US-20080161351-A1 Linked biaryl compounds SREBF2, SREBF1, ACACB IDH1 357/4885PPARA 89/4885PPARD 55/4885

“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.