SCHEMBL2013251

SCHEMBL2013251

CCOC(=O)COc1ccc(C(=O)CNC(=O)OC(C)(C)C)cc1S(=O)(=O)CC

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.39
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ESR1 P03372 1/20 0.37
ALDH1A1 P00352 4/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
F10 P00742 1/20 0.35
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
NLRP3 Q96P20 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
ABCB1 P08183 1/20 0.34
TP53 P04637 1/20 0.34
GLA P06280 1/20 0.34

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 0.88 KMT2A (0.44) GAAMAPK1L3MBTL1ESR1ALDH1A1
SCHEMBL2007999 0.85 GAA (0.44) GAAMAPK1L3MBTL1ALDH1A1NPSR1
SCHEMBL2007940 0.83 NPC1 (0.42) GAAMAPK1L3MBTL1ESR1ALDH1A1
SCHEMBL2012807 0.83 NPC1 (0.44) GAAMAPK1L3MBTL1ESR1ALDH1A1
SCHEMBL2010623 0.82 MAPK1 (0.36) GAAMAPK1L3MBTL1ESR1ALDH1A1
SCHEMBL2013411 0.80 NPSR1 (0.42) GAAMAPK1L3MBTL1ESR1ALDH1A1
SCHEMBL2014829 0.77 L3MBTL1 (0.44) L3MBTL1MEN1KMT2ASMN1; SMN2TSHR
SCHEMBL2012428 0.77 HPGD (0.45) GAAMAPK1L3MBTL1ALDH1A1NPSR1
SCHEMBL2011589 0.76 CASP7 (0.40) GAAMAPK1ESR1ALDH1A1MEN1
SCHEMBL2011176 0.76 ITGB3 (0.54) L3MBTL1MEN1KMT2ASMN1; SMN2TSHR

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 3340/4885MAPK1 3196/4885L3MBTL1 4640/4885
US-20070021489-A1 Fibrinogen receptor antagonists and their use FGB, F13B, F2 GAA 3340/4885MAPK1 3196/4885L3MBTL1 4640/4885

“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.