SCHEMBL2008322

SCHEMBL2008322

CCOC(=O)COc1ccc(C(=O)CN)cc1N(CC(=O)OCC)S(C)(=O)=O

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.39
HSD17B10 Q99714 1/20 0.38
GAA P10253 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MAPK1 P28482 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
LMNA P02545 1/20 0.36
ESR1 P03372 1/20 0.36
ABCB1 P08183 1/20 0.35

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
SCHEMBL2007949 0.89 ALDH1A1 (0.39) ALDH1A1HSD17B10GAANPSR1MAPK1
SCHEMBL2007575 0.88 KMT2A (0.46) ALDH1A1HSD17B10GAANPSR1MAPK1
SCHEMBL2010623 0.82 MAPK1 (0.36) ALDH1A1HSD17B10GAAMAPK1L3MBTL1
SCHEMBL2012694 0.79 ALDH1A1 (0.50) ALDH1A1HSD17B10NPSR1MAPK1L3MBTL1
SCHEMBL2013411 0.78 NPSR1 (0.42) ALDH1A1HSD17B10GAANPSR1MAPK1
SCHEMBL2011344 0.76 ALDH1A1 (0.51) ALDH1A1HSD17B10GAANPSR1MAPK1
Hydrochloric Acid SCHEMBL8832741 0.74 KMT2A (0.55) ALDH1A1GAANPSR1MAPK1L3MBTL1
SCHEMBL2007965 0.74 ITGB3 (0.34) ALDH1A1HSD17B10L3MBTL1
SCHEMBL2008828 0.74 ITGB3 (0.34) L3MBTL1
SCHEMBL2009094 0.73 ESR1 (0.42) ALDH1A1HSD17B10GAANPSR1MAPK1

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 ALDH1A1 2548/4885HSD17B10 3132/4885GAA 3340/4885
US-20070021489-A1 Fibrinogen receptor antagonists and their use FGB, F13B, F2 ALDH1A1 2548/4885HSD17B10 3132/4885GAA 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.