SCHEMBL2014303

SCHEMBL2014303

CCOC(=O)COc1ccc(C(=O)CN2Cc3cc(C(=N)SC)ccc3C2=O)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.37
PKM P14618 1/20 0.37
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 3/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
TDP1 Q9NUW8 1/20 0.35
TSHR P16473 1/20 0.35
PPOX P50336 1/20 0.35
AOC3 Q16853 2/20 0.35
P2RX3 P56373 1/20 0.34
TP53 P04637 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
ALOX15 P16050 1/20 0.33
ADRB3 P13945 1/20 0.33

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
SCHEMBL2011020 0.92 ITGB3 (0.38) ITGB3ITGA2BMEN1KMT2AALDH1A1
SCHEMBL2014833 0.90 ITGB3 (0.45) GAAPKMITGB3ITGA2BMEN1
SCHEMBL2007042 0.89 GAA (0.37) GAAPKMITGB3ITGA2BMEN1
SCHEMBL2014777 0.89 ITGB3 (0.38) ITGB3ITGA2BMEN1KMT2AKDM4E
SCHEMBL2011006 0.88 GAA (0.37) GAAPKMITGB3ITGA2BMEN1
SCHEMBL2011010 0.88 ITGB3 (0.37) ITGB3ITGA2BMEN1KMT2AALDH1A1
SCHEMBL2008211 0.87 AOC3 (0.35) GAAPKMITGB3ITGA2BMEN1
SCHEMBL2007093 0.87 NPC1 (0.36) ITGB3ITGA2BMEN1KMT2AALDH1A1
SCHEMBL2008897 0.87 ITGB3 (0.43) GAAITGB3ITGA2BMEN1KMT2A
SCHEMBL2015602 0.86 GAA (0.38) GAAPKMITGB3ITGA2BMEN1

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 GAA 3340/4885PKM 3583/4885ITGB3 169/4885
US-20070021489-A1 Fibrinogen receptor antagonists and their use FGB, F13B, F2 GAA 3340/4885PKM 3583/4885ITGB3 169/4885

“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.