SCHEMBL2013330

SCHEMBL2013330

CCCc1c(OCC(=O)OCC)ccc(C(=O)CBr)c1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.48
PPARD Q03181 2/20 0.48
PPARA Q07869 2/20 0.48
CYSLTR2 Q9NS75 9/20 0.47
CYSLTR1 Q9Y271 9/20 0.47
LMNA P02545 2/20 0.45
CYP1A2 P05177 1/20 0.45
MAPT P10636 1/20 0.45
CYP2C9 P11712 1/20 0.45
NFKB1 P19838 1/20 0.45
BLM P54132 1/20 0.45
ABCB1 P08183 1/20 0.44
CASP3 P42574 1/20 0.44
CASP7 P55210 1/20 0.44
CASP9 P55211 1/20 0.44
GRM2 Q14416 1/20 0.42
ESR1 P03372 1/20 0.42
MEN1 O00255 1/20 0.42
GLA P06280 1/20 0.42
CYP3A4 P08684 1/20 0.42

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
SCHEMBL2014174 0.90 CASP3 (0.45) PPARGPPARDPPARALMNAMAPT
SCHEMBL2009189 0.88 PPARG (0.48) PPARGPPARDPPARACYSLTR2CYSLTR1
SCHEMBL2015635 0.86 PPARG (0.63) PPARGPPARDPPARACYSLTR2CYSLTR1
SCHEMBL2013759 0.85 CASP3 (0.47) MAPTCYP2C9ABCB1CASP3CASP7
SCHEMBL2010980 0.84 CASP3 (0.46) LMNACYP1A2MAPTABCB1CASP3
SCHEMBL2009124 0.82 ALDH1A1 (0.50) LMNACYP1A2MAPTCYP2C9ABCB1
SCHEMBL5804482 0.82 PPARG (0.58) PPARGPPARDPPARACYSLTR2CYSLTR1
SCHEMBL2010015 0.80 CASP3 (0.43) LMNAMAPTABCB1CASP3CASP7
SCHEMBL2013984 0.80 PPARG (0.44) PPARGPPARDPPARACYSLTR2CYSLTR1
SCHEMBL2012527 0.78 CASP3 (0.45) PPARGPPARDPPARALMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7964628-B2 Fibrinogen receptor antagonists and their use PIRAMAL LIFE SCIENCES LIMITED (IN) 2011-06-21 US disclosed
US-20100256161-A1 FIBRINOGEN RECEPTOR ANTAGONISTS AND THEIR USE PIRAMAL LIFE SCIENCES LIMITED (IN) 2010-10-07 US disclosed
US-7759387-B2 Fibrinogen receptor antagonists and their use PIRAMAL LIFE SCIENCES LIMITED (IN) 2010-07-20 US disclosed
US-20070021489-A1 Fibrinogen receptor antagonists and their use NICHOLAS PIRAMAL INDIA LIMITED (IN) 2007-01-25 US disclosed
EP-1677783-A2 FIBRINOGEN RECEPTOR ANTAGONISTS AND THEIR USE Nicholas Piramal India Limited (IN) 2006-07-12 EP disclosed
WO-2005035495-A2 FIBRINOGEN RECEPTOR ANTAGONISTS AND THEIR USE NICHOLAS PIRAMAL INDIA LIMITED (IN) 2005-04-21 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-20100256161-A1 FIBRINOGEN RECEPTOR ANTAGONISTS AND THEIR USE FGB, F13B, F2 PPARG 1067/4885PPARD 948/4885PPARA 1496/4885
US-20070021489-A1 Fibrinogen receptor antagonists and their use FGB, F13B, F2 PPARG 1067/4885PPARD 948/4885PPARA 1496/4885

“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.