SCHEMBL2013268

SCHEMBL2013268

CCOC(=O)COc1ccc(C(C)=O)c(O)c1SCC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.45
CASP7 P55210 1/20 0.45
CASP9 P55211 1/20 0.45
ESR1 P03372 1/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PPARG P37231 1/20 0.40
PPARD Q03181 1/20 0.40
PPARA Q07869 1/20 0.40
ABCB1 P08183 1/20 0.40
USP2 O75604 1/20 0.40
HPGD P15428 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39

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
SCHEMBL2007749 0.86 CASP3 (0.43) CASP3CASP7CASP9ESR1ALDH1A1
SCHEMBL2010015 0.86 CASP3 (0.43) CASP3CASP7CASP9ESR1ALDH1A1
SCHEMBL2010092 0.82 MAPT (0.58) CASP3CASP7CASP9ESR1ALDH1A1
SCHEMBL2007652 0.81 CASP3 (0.49) CASP3CASP7CASP9ESR1ALDH1A1
SCHEMBL2009962 0.80 PPARG (0.50) CASP3CASP7CASP9ESR1ALDH1A1
SCHEMBL2010881 0.80 ALDH1A1 (0.53) CASP3CASP7CASP9ESR1ALDH1A1
SCHEMBL2015635 0.78 PPARG (0.63) MAPTCYP2C9TDP1PPARGPPARD
SCHEMBL5786521 0.76 ESR1 (0.48) CASP3CASP7CASP9ESR1ALDH1A1
Gallacetophenone SCHEMBL5783735 0.76 ESR1 (0.46) CASP3CASP7CASP9ESR1ALDH1A1
SCHEMBL10545845 0.74 HPGD (0.52) CASP3CASP7CASP9ESR1ALDH1A1

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 7 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-2006063113-A2 UREAS AS FACTOR XA INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2006-06-15 WO 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 CASP3 4105/4885CASP7 4127/4885CASP9 3233/4885
US-20070021489-A1 Fibrinogen receptor antagonists and their use FGB, F13B, F2 CASP3 4105/4885CASP7 4127/4885CASP9 3233/4885

“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.