SCHEMBL2011241

SCHEMBL2011241

CCOC(=O)COc1cc(O)c(C(=O)CNC(=O)OC(C)(C)C)cc1CC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 5/20 0.43
▸ HMGCR P04035 1/20 0.40
▸ MAPT P10636 3/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ LTB4R Q15722 2/20 0.38
▸ ESR1 P03372 1/20 0.38
▸ NR1H4 Q96RI1 4/20 0.38
▸ HPGD P15428 4/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ ALOX15 P16050 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ CASP3 P42574 1/20 0.37
▸ CASP7 P55210 1/20 0.37

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
SCHEMBL2011477 0.88 GAA (0.40) HMGCRMAPTKDM4EESR1HPGD
SCHEMBL2010297 0.88 HMGCR (0.39) PDE5AHMGCRMAPTESR1HPGD
SCHEMBL2006187 0.87 HMGCR (0.38) HMGCRMAPTESR1HPGDALDH1A1
SCHEMBL2011135 0.82 HPGD (0.47) MAPTKDM4EESR1HPGDALDH1A1
SCHEMBL2012183 0.82 HPGD (0.55) MAPTKDM4EHPGDALDH1A1MAPK1
SCHEMBL2012428 0.81 HPGD (0.45) MAPTKDM4EHPGDALDH1A1MAPK1
SCHEMBL2010474 0.80 CASP7 (0.39) MAPTKDM4EESR1HPGDALDH1A1
SCHEMBL2011589 0.80 CASP7 (0.40) MAPTKDM4EESR1HPGDALDH1A1
SCHEMBL2007903 0.79 PDE5A (0.53) PDE5ALTB4RESR1NR1H4HPGD
SCHEMBL2011021 0.79 CASP7 (0.39) MAPTKDM4EESR1HPGDALDH1A1

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 PDE5A 3417/4885HMGCR 3455/4885MAPT 4727/4885
US-20070021489-A1 Fibrinogen receptor antagonists and their use FGB, F13B, F2 PDE5A 3417/4885HMGCR 3455/4885MAPT 4727/4885

“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.

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