SCHEMBL2010455

SCHEMBL2010455

CCOC(=O)COc1cc(O)c(C(=O)CBr)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 4/20 0.41
TRPA1 O75762 1/20 0.41
TSHR P16473 1/20 0.40
USP2 O75604 1/20 0.40
PTPN1 P18031 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
ALOX15 P16050 1/20 0.39
MAPK1 P28482 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
SCHEMBL2014171 0.91 MAPT (0.44) HMGCRCASP3CASP7CASP9HPGD
SCHEMBL2012377 0.89 GAA (0.46) HMGCRCASP3CASP7CASP9HPGD
SCHEMBL2012614 0.87 CASP3 (0.44) HMGCRCASP3CASP7CASP9HPGD
SCHEMBL2014022 0.87 ESR1 (0.42) HMGCRCASP3CASP7CASP9HPGD
SCHEMBL2010341 0.86 HMGCR (0.53) HMGCRCASP3CASP7CASP9HPGD
SCHEMBL2012618 0.84 HTT (0.53) HMGCRCASP3CASP7CASP9HPGD
SCHEMBL2009779 0.81 HPGD (0.55) HPGDESR1ALDH1A1PTPN1CYP1A2
SCHEMBL2013048 0.81 HPGD (0.65) HPGDALDH1A1CYP1A2CYP2C19MEN1
SCHEMBL6813799 0.80 ALDH1A1 (0.44) CASP3CASP7CASP9HPGDESR1
SCHEMBL9080295 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.