SCHEMBL2010341

SCHEMBL2010341

CCOC(=O)COc1cc(O)c(C(=O)CN)cc1OCC(=O)OCC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 3/20 0.53
CASP3 P42574 1/20 0.49
CASP7 P55210 1/20 0.49
CASP9 P55211 1/20 0.49
HPGD P15428 2/20 0.45
ESR1 P03372 1/20 0.44
ABCB1 P08183 1/20 0.43
ALDH1A1 P00352 2/20 0.41
USP2 O75604 1/20 0.40
PTPN1 P18031 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
F9 P00740 1/20 0.39
NPSR1 Q6W5P4 2/20 0.39
MAPK1 P28482 2/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
ALOX15 P16050 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 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
SCHEMBL2012142 0.91 MAPT (0.44) HMGCRCASP3CASP7CASP9HPGD
SCHEMBL2009367 0.89 GAA (0.46) HMGCRCASP3CASP7CASP9HPGD
SCHEMBL2009036 0.87 ESR1 (0.42) HMGCRCASP3CASP7CASP9HPGD
SCHEMBL2008475 0.87 CASP3 (0.44) HMGCRCASP3CASP7CASP9HPGD
SCHEMBL2010455 0.86 HMGCR (0.53) HMGCRCASP3CASP7CASP9HPGD
SCHEMBL5518333 0.85 HMGCR (0.53) HMGCRHPGDALDH1A1USP2NPSR1
SCHEMBL2012618 0.84 HTT (0.53) HMGCRCASP3CASP7CASP9HPGD
SCHEMBL2010800 0.81 HPGD (0.55) HPGDESR1ALDH1A1L3MBTL1NPSR1
SCHEMBL2004229 0.81 HPGD (0.65) HPGDALDH1A1NPSR1MAPK1MEN1
SCHEMBL2013912 0.79 HPGD (0.53) CASP3CASP7CASP9HPGDABCB1

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 HMGCR 3455/4885CASP3 4105/4885CASP7 4127/4885
US-20070021489-A1 Fibrinogen receptor antagonists and their use FGB, F13B, F2 HMGCR 3455/4885CASP3 4105/4885CASP7 4127/4885

“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.