SCHEMBL2010297

SCHEMBL2010297

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 1/20 0.39
ESR1 P03372 1/20 0.38
NLRP3 Q96P20 2/20 0.36
CASP3 P42574 1/20 0.36
CASP7 P55210 1/20 0.36
CASP9 P55211 1/20 0.36
HPGD P15428 2/20 0.36
ALDH1A1 P00352 3/20 0.35
TSHR P16473 2/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
ABCB1 P08183 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
F9 P00740 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.33
PDE5A O76074 1/20 0.33
SERPINE1 P05121 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 0.88 PDE5A (0.43) HMGCRESR1CASP3CASP7CASP9
SCHEMBL2011477 0.88 GAA (0.40) HMGCRESR1CASP3CASP7CASP9
SCHEMBL2006187 0.86 HMGCR (0.38) HMGCRESR1NLRP3CASP3CASP7
SCHEMBL2014022 0.81 ESR1 (0.42) HMGCRESR1NLRP3CASP3CASP7
SCHEMBL2009036 0.81 ESR1 (0.42) HMGCRESR1NLRP3CASP3CASP7
SCHEMBL2012183 0.81 HPGD (0.55) HPGDALDH1A1GAAMAPTMAPK1
SCHEMBL2011135 0.81 HPGD (0.47) ESR1HPGDALDH1A1GAAMAPT
SCHEMBL2012428 0.80 HPGD (0.45) CASP3CASP7CASP9HPGDALDH1A1
SCHEMBL2011589 0.79 CASP7 (0.40) ESR1CASP3CASP7CASP9HPGD
SCHEMBL2011021 0.78 CASP7 (0.39) ESR1NLRP3CASP3CASP7CASP9

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 3455/4885ESR1 2308/4885NLRP3 1172/4885
US-20070021489-A1 Fibrinogen receptor antagonists and their use FGB, F13B, F2 HMGCR 3455/4885ESR1 2308/4885NLRP3 1172/4885

“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.