SCHEMBL2007940

SCHEMBL2007940

CCOC(=O)COc1ccc(C(=O)CNC(=O)OC(C)(C)C)cc1SCC

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
GAA P10253 1/20 0.40
ESR1 P03372 1/20 0.39
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
ALDH1A1 P00352 5/20 0.36
MAPT P10636 3/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
TSHR P16473 2/20 0.35
NLRP3 Q96P20 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HPGD P15428 1/20 0.34
PPARG P37231 1/20 0.34
ABCB1 P08183 1/20 0.33
TP53 P04637 1/20 0.33
GLA P06280 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
SCHEMBL2008176 0.87 KMT2A (0.44) GAAESR1MAPK1L3MBTL1ALDH1A1
SCHEMBL2013243 0.87 NPC1 (0.40) NPC1RAB9AGAAMAPK1L3MBTL1
SCHEMBL2007999 0.85 GAA (0.44) GAAMAPK1L3MBTL1ALDH1A1MAPT
SCHEMBL2013251 0.83 GAA (0.39) NPC1RAB9AGAAESR1MAPK1
SCHEMBL2012807 0.82 NPC1 (0.44) NPC1RAB9AGAAESR1MAPK1
SCHEMBL2009094 0.80 ESR1 (0.42) NPC1RAB9AGAAESR1MAPK1
SCHEMBL2009817 0.80 ESR1 (0.42) NPC1RAB9AGAAESR1L3MBTL1
SCHEMBL2008557 0.78 KMT2A (0.51) NPC1RAB9AESR1MAPK1L3MBTL1
SCHEMBL2010623 0.78 MAPK1 (0.36) GAAESR1MAPK1L3MBTL1ALDH1A1
SCHEMBL2014829 0.76 L3MBTL1 (0.44) L3MBTL1MEN1KMT2ATSHRSMN1; SMN2

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 NPC1 4226/4885RAB9A 2816/4885GAA 3340/4885
US-20070021489-A1 Fibrinogen receptor antagonists and their use FGB, F13B, F2 NPC1 4226/4885RAB9A 2816/4885GAA 3340/4885

“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.