SCHEMBL2011176

SCHEMBL2011176

CC(C)(C)OC(=O)NCC(=O)c1ccc(OCC(=O)O)c(OCC(=O)O)c1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 9/20 0.54
ITGA2B P08514 9/20 0.54
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
CYP2C19 P33261 1/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.42
TSHR P16473 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GLA P06280 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LTB4R Q15722 1/20 0.39
LTB4R2 Q9NPC1 1/20 0.39
PTPN1 P18031 1/20 0.38

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
SCHEMBL2008176 0.87 KMT2A (0.44) ITGB3ITGA2BMEN1KMT2AL3MBTL1
SCHEMBL2014829 0.84 L3MBTL1 (0.44) ITGB3ITGA2BMEN1KMT2ATSHR
SCHEMBL8552738 0.84 ITGB3 (0.69) ITGB3ITGA2BMEN1KMT2A
SCHEMBL8171288 0.84 MEN1 (0.52) ITGB3ITGA2BMEN1KMT2ACYP2C19
SCHEMBL2009205 0.83 SMN1; SMN2 (0.51) ITGB3ITGA2BMEN1KMT2ASMN1; SMN2
SCHEMBL8554466 0.79 MEN1 (0.62) ITGB3ITGA2BMEN1KMT2APTGDR2
Hydrochloric Acid SCHEMBL7796062 0.78 MEN1 (0.61) ITGB3ITGA2BMEN1KMT2APTGDR2
SCHEMBL19331732 0.78 MAPT (0.51) MEN1KMT2ATSHRTDP1SMN1; SMN2
SCHEMBL7798164 0.78 ITGB3 (0.61) ITGB3ITGA2BMEN1KMT2ACYP2C19
SCHEMBL2007999 0.77 GAA (0.44) MEN1KMT2ACYP2C19TSHRTDP1

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 ITGB3 169/4885ITGA2B 63/4885MEN1 4472/4885
US-20070021489-A1 Fibrinogen receptor antagonists and their use FGB, F13B, F2 ITGB3 169/4885ITGA2B 63/4885MEN1 4472/4885

“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.