SCHEMBL2013411

SCHEMBL2013411

CCOC(=O)COc1ccc(C(=O)CN)cc1S(=O)(=O)CC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.42
GAA P10253 2/20 0.42
ALDH1A1 P00352 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.40
ESR1 P03372 1/20 0.40
MAPK1 P28482 1/20 0.39
F10 P00742 1/20 0.39
ABCB1 P08183 1/20 0.39
CASP3 P42574 1/20 0.39
CASP7 P55210 1/20 0.39
CASP9 P55211 1/20 0.39
USP2 O75604 1/20 0.38
KDM4E B2RXH2 2/20 0.38
KMT2A Q03164 2/20 0.38
PTPN1 P18031 1/20 0.38
MEN1 O00255 1/20 0.38
HPGD P15428 1/20 0.38
CASP1 P29466 1/20 0.38
HSD17B10 Q99714 1/20 0.38
F9 P00740 1/20 0.38

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
SCHEMBL2012694 0.84 ALDH1A1 (0.50) NPSR1ALDH1A1L3MBTL1ESR1MAPK1
SCHEMBL2011344 0.81 ALDH1A1 (0.51) NPSR1GAAALDH1A1L3MBTL1MAPK1
SCHEMBL2013251 0.80 GAA (0.39) NPSR1GAAALDH1A1L3MBTL1ESR1
Hydrochloric Acid SCHEMBL8832741 0.79 KMT2A (0.55) NPSR1GAAALDH1A1L3MBTL1ESR1
Hydrochloric Acid SCHEMBL8836093 0.79 ALDH1A1 (0.43) NPSR1ALDH1A1L3MBTL1ESR1MAPK1
SCHEMBL2009094 0.78 ESR1 (0.42) NPSR1GAAALDH1A1L3MBTL1ESR1
SCHEMBL2008322 0.78 ALDH1A1 (0.39) NPSR1GAAALDH1A1L3MBTL1ESR1
SCHEMBL2010748 0.77 NPC1 (0.51) ALDH1A1L3MBTL1MAPK1KMT2AMEN1
SCHEMBL2010751 0.74 GAA (0.59) NPSR1GAAALDH1A1L3MBTL1KDM4E
Hydrochloric Acid SCHEMBL11660184 0.73 GAA (0.57) NPSR1GAAALDH1A1L3MBTL1KDM4E

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 NPSR1 340/4885GAA 3340/4885ALDH1A1 2548/4885
US-20070021489-A1 Fibrinogen receptor antagonists and their use FGB, F13B, F2 NPSR1 340/4885GAA 3340/4885ALDH1A1 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.