SCHEMBL2009764

SCHEMBL2009764

CCOC(=O)COC1CCN(C(=O)CCN2Cc3cc(C(N)=S)ccc3C2=O)CC1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 6/20 0.44
ITGA2B P08514 5/20 0.44
ALDH1A1 P00352 3/20 0.36
TNF P01375 2/20 0.36
TSHR P16473 1/20 0.35
AOC3 Q16853 2/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
POLB P06746 2/20 0.34
PLA2G1B P04054 1/20 0.34
GFER P55789 1/20 0.34
ATG4B Q9Y4P1 1/20 0.34
MAPT P10636 1/20 0.34
ITGAV P06756 1/20 0.33
GAA P10253 1/20 0.33
BLM P54132 1/20 0.33
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32

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
SCHEMBL2008084 0.92 ITGB3 (0.45) ITGB3ITGA2BALDH1A1TNFTSHR
SCHEMBL2014161 0.87 ITGB3 (0.45) ITGB3ITGA2BALDH1A1TNFTSHR
SCHEMBL2010165 0.84 ITGB3 (0.38) ITGB3ITGA2BALDH1A1TNFPOLB
SCHEMBL2007714 0.83 ITGB3 (0.54) ITGB3ITGA2BAOC3
SCHEMBL2008734 0.78 ITGB3 (0.46) ITGB3ITGA2BTSHRAOC3KMT2A
SCHEMBL2005612 0.77 ITGB3 (0.56) ITGB3ITGA2BALDH1A1KMT2AMEN1
SCHEMBL2008869 0.75 MAPK1 (0.39) ITGB3ITGA2BALDH1A1AOC3
SCHEMBL2010746 0.74 ITGB3 (0.44) ITGB3ITGA2BALDH1A1TSHRAOC3
SCHEMBL2007989 0.73 AOC3 (0.46) ITGB3ITGA2BALDH1A1AOC3KMT2A
SCHEMBL2008464 0.72 ITGB3 (0.36) ITGB3ITGA2BAOC3

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 63/4885ALDH1A1 2548/4885
US-20070021489-A1 Fibrinogen receptor antagonists and their use FGB, F13B, F2 ITGB3 169/4885ITGA2B 63/4885ALDH1A1 2548/4885

“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.