SCHEMBL1507982

SCHEMBL1507982

CCOC(=O)CC(OCC)c1ccc(OCc2sc(-c3ccc(C(F)(F)F)cc3)nc2C)cc1

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 11/20 0.64
PPARA Q07869 7/20 0.64
PPARG P37231 5/20 0.64
FFAR1 O14842 12/20 0.62
CHRM5 P08912 1/20 0.61
SLC6A3 Q01959 1/20 0.61

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
SCHEMBL1508362 0.92 FFAR1 (0.70) PPARDPPARAPPARGFFAR1CHRM5
SCHEMBL1508019 0.84 FFAR1 (0.80) PPARGFFAR1
SCHEMBL13140280 0.81 PPARD (0.74) PPARDPPARAPPARGFFAR1CHRM5
SCHEMBL10441654 0.81 FFAR1 (0.68) PPARDPPARAPPARGFFAR1CHRM5
SCHEMBL14573031 0.79 PPARD (0.63) PPARDPPARAPPARGFFAR1
SCHEMBL23028635 0.78 PPARD (0.62) PPARDPPARAPPARGFFAR1
SCHEMBL6236710 0.78 PPARD (0.81) PPARDPPARAPPARGFFAR1CHRM5
SCHEMBL6237379 0.78 PPARD (1.00) PPARDPPARAPPARGFFAR1CHRM5
SCHEMBL4677519 0.78 FFAR1 (0.68) PPARDPPARAPPARGFFAR1CHRM5
SCHEMBL13118229 0.78 FFAR1 (0.68) PPARDPPARAPPARGFFAR1CHRM5

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
EP-2289868-B1 CARBOXYLIC ACID COMPOUND DAIICHI SANKYO CO LTD (JP) 2014-08-13 EP disclosed
US-8222281-B2 Carboxylic acid compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-07-17 US disclosed
US-20110053974-A1 CARBOXYLIC ACID COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-03-03 US disclosed
EP-2289868-A1 CARBOXYLIC ACID COMPOUND Daiichi Sankyo Company, Limited (JP) 2011-03-02 EP 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-20110053974-A1 CARBOXYLIC ACID COMPOUND AKR1C3, SLC5A1, GPR119 PPARD 879/4885PPARA 257/4885PPARG 200/4885

“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.