SCHEMBL2006187

SCHEMBL2006187

CCOC(=O)COc1cc(O)c(C(=O)CNC(=O)OC(C)(C)C)cc1C(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 1/20 0.38
CASP3 P42574 1/20 0.38
CASP7 P55210 1/20 0.38
CASP9 P55211 1/20 0.38
NLRP3 Q96P20 3/20 0.37
ESR1 P03372 1/20 0.36
HPGD P15428 2/20 0.36
ALDH1A1 P00352 2/20 0.36
TSHR P16473 2/20 0.36
MAPT P10636 1/20 0.36
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.34
SERPINE1 P05121 1/20 0.34
MAPK1 P28482 1/20 0.34
ABCB1 P08183 1/20 0.33
F10 P00742 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PTPN1 P18031 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL2011241 0.87 PDE5A (0.43) HMGCRCASP3CASP7CASP9ESR1
SCHEMBL2010297 0.86 HMGCR (0.39) HMGCRCASP3CASP7CASP9NLRP3
SCHEMBL2011477 0.86 GAA (0.40) HMGCRCASP3CASP7CASP9ESR1
SCHEMBL2007664 0.80 CASP3 (0.46) HMGCRCASP3CASP7CASP9NLRP3
SCHEMBL2012614 0.80 CASP3 (0.44) HMGCRCASP3CASP7CASP9NLRP3
SCHEMBL2008475 0.80 CASP3 (0.44) HMGCRCASP3CASP7CASP9NLRP3
SCHEMBL2011135 0.79 HPGD (0.47) ESR1HPGDALDH1A1MAPTLMNA
SCHEMBL2012183 0.79 HPGD (0.55) HPGDALDH1A1MAPTLMNAGAA
SCHEMBL2012428 0.78 HPGD (0.45) CASP3CASP7CASP9HPGDALDH1A1
SCHEMBL2011589 0.77 CASP7 (0.40) CASP3CASP7CASP9ESR1HPGD

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.