SCHEMBL2009016

SCHEMBL2009016

CC(C)COC(=O)COc1ccc(C(=O)CN2Cc3cc(C(N)=S)ccc3C2=O)cc1OCC(=O)OCC(C)C

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 9/20 0.40
ITGB3 P05106 4/20 0.38
ITGA2B P08514 3/20 0.38
TSHR P16473 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KMT2A Q03164 1/20 0.32
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
ITGAV P06756 1/20 0.31

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
SCHEMBL2009796 0.91 ITGB3 (0.45) PDE4BITGB3ITGA2BTSHRTDP1
SCHEMBL2007547 0.90 ITGB3 (0.39) PDE4BITGB3ITGA2BKMT2AALDH1A1
SCHEMBL2007269 0.90 ITGB3 (0.42) ITGB3ITGA2BTSHRTDP1L3MBTL1
SCHEMBL2009644 0.86 PDE4B (0.37) PDE4BITGB3ITGA2BTSHRTDP1
SCHEMBL2008304 0.85 USP2 (0.38) PDE4BITGB3ITGA2BTSHRTDP1
SCHEMBL2015602 0.83 GAA (0.38) ITGB3ITGA2BTSHRTDP1L3MBTL1
SCHEMBL2009678 0.81 ITGB3 (0.47) ITGB3ITGA2BKMT2AKDM4E
SCHEMBL2010513 0.81 ITGB3 (0.51) ITGB3ITGA2BALDH1A1KDM4EMAPT
SCHEMBL2012562 0.81 ITGB3 (0.38) PDE4BITGB3ITGA2BKMT2AALDH1A1
SCHEMBL2013623 0.81 ITGB3 (0.38) PDE4BITGB3ITGA2BTSHRKMT2A

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 4 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

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 PDE4B 4262/4885ITGB3 169/4885ITGA2B 63/4885
US-20070021489-A1 Fibrinogen receptor antagonists and their use FGB, F13B, F2 PDE4B 4262/4885ITGB3 169/4885ITGA2B 63/4885

“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.