SCHEMBL2013045

SCHEMBL2013045

CC(C)(C)OC(=O)NCC(=O)c1ccc(OCC(=O)OCc2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
MAPK1 P28482 1/20 0.49
SYK P43405 1/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
MAPT P10636 4/20 0.46
TP53 P04637 1/20 0.46
HDAC1 Q13547 1/20 0.46
CASP1 P29466 1/20 0.43
KDM4E B2RXH2 2/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
PLA2G4B P0C869 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
MAOB P27338 1/20 0.42
EGFR P00533 1/20 0.42

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
SCHEMBL2009888 0.89 HDAC1 (0.55) SMN1; SMN2NPC1RAB9ASYKMEN1
SCHEMBL7334309 0.87 NPC1 (0.49) SMN1; SMN2NPC1RAB9AMAPK1MEN1
SCHEMBL2009782 0.85 HPGD (0.48) SYKMEN1KMT2AMAPTTP53
SCHEMBL2009205 0.84 SMN1; SMN2 (0.51) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL2014781 0.83 HTT (0.49) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL8009012 0.83 RAB9A (0.56) SMN1; SMN2NPC1RAB9AMAPK1MAPT
SCHEMBL8377749 0.82 CA12 (0.44) SMN1; SMN2NPC1RAB9AMAPTPOLB
SCHEMBL2014794 0.82 L3MBTL1 (0.40) MAPTL3MBTL1
SCHEMBL8238491 0.82 SYK (0.61) RAB9AMAPK1SYKMEN1KMT2A
Hydrochloric Acid SCHEMBL7330565 0.82 RAB9A (0.55) SMN1; SMN2NPC1RAB9AMAPK1MAPT

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 SMN1; SMN2 4690/4885NPC1 4226/4885RAB9A 2816/4885
US-20070021489-A1 Fibrinogen receptor antagonists and their use FGB, F13B, F2 SMN1; SMN2 4690/4885NPC1 4226/4885RAB9A 2816/4885

“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.