SCHEMBL2010988

SCHEMBL2010988

CCOC(=O)COc1cc(O)c(C(=O)CN)c(OC)c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.44
CYP2C19 P33261 3/20 0.44
CYP2D6 P10635 1/20 0.44
HPGD P15428 3/20 0.44
USP2 O75604 1/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PTPN1 P18031 2/20 0.43
ALDH1A1 P00352 3/20 0.43
CYP1A2 P05177 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C9 P11712 1/20 0.41
NTSR1 P30989 1/20 0.41
GAA P10253 2/20 0.40
ABCG2 Q9UNQ0 1/20 0.40
MEN1 O00255 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
SCHEMBL2010599 0.90 HPGD (0.49) CYP3A4CYP2C19HPGDSMN1; SMN2ALDH1A1
SCHEMBL2013225 0.79 HPGD (0.50) CYP3A4CYP2C19HPGDUSP2MAPK1
SCHEMBL28666843 0.78 CYP3A4 (0.63) CYP3A4CYP2C19CYP2D6HPGDUSP2
SCHEMBL2013202 0.77 HPGD (0.44) CYP3A4CYP2C19CYP2D6HPGDALDH1A1
SCHEMBL7679910 0.77 ALDH1A1 (0.59) CYP3A4CYP2C19HPGDSMN1; SMN2ALDH1A1
SCHEMBL2004229 0.75 HPGD (0.65) CYP3A4CYP2C19HPGDMAPK1SMN1; SMN2
SCHEMBL2013912 0.74 HPGD (0.53) CYP3A4CYP2C19HPGDMAPK1SMN1; SMN2
SCHEMBL5356914 0.73 SMN1; SMN2 (0.55) CYP3A4CYP2C19HPGDSMN1; SMN2ALDH1A1
SCHEMBL1573002 0.73 SMN1; SMN2 (0.55) CYP3A4CYP2C19HPGDSMN1; SMN2ALDH1A1
SCHEMBL2010800 0.73 HPGD (0.55) CYP3A4CYP2C19HPGDMAPK1SMN1; SMN2

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 CYP3A4 577/4885CYP2C19 327/4885CYP2D6 1127/4885
US-20070021489-A1 Fibrinogen receptor antagonists and their use FGB, F13B, F2 CYP3A4 577/4885CYP2C19 327/4885CYP2D6 1127/4885

“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.