SCHEMBL2009205

SCHEMBL2009205

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

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.51
EPHX2 P34913 1/20 0.51
NR1H4 Q96RI1 1/20 0.51
MAPT P10636 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
CA12 O43570 5/20 0.45
CA1 P00915 5/20 0.45
CA2 P00918 5/20 0.45
CA9 Q16790 5/20 0.45
ALOX15 P16050 1/20 0.44
ITGB3 P05106 1/20 0.43
ITGA2B P08514 1/20 0.43
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 1/20 0.43
PTPN7 P35236 1/20 0.43
KMT2A Q03164 1/20 0.43
PTPN12 Q05209 1/20 0.43

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
Methenamine SCHEMBL5801339 0.93 EPHX2 (0.48) SMN1; SMN2EPHX2NR1H4MAPTNPC1
SCHEMBL3604860 0.85 RAB9A (0.49) SMN1; SMN2MAPTNPC1RAB9ACA12
SCHEMBL2013987 0.85 MAPT (0.49) SMN1; SMN2EPHX2NR1H4MAPTNPC1
SCHEMBL2009888 0.84 HDAC1 (0.55) SMN1; SMN2MAPTNPC1RAB9AALDH1A1
SCHEMBL16215508 0.84 ALDH1A1 (0.55) EPHX2NR1H4MAPTNPC1RAB9A
SCHEMBL19331732 0.84 MAPT (0.51) SMN1; SMN2EPHX2NR1H4MAPTALOX15
SCHEMBL750357 0.84 EPHX2 (0.58) SMN1; SMN2EPHX2NR1H4MAPTNPC1
SCHEMBL2013045 0.84 SMN1; SMN2 (0.49) SMN1; SMN2MAPTNPC1RAB9AMEN1
SCHEMBL2014794 0.83 L3MBTL1 (0.40) EPHX2NR1H4MAPTCA12CA1
SCHEMBL8377749 0.83 CA12 (0.44) SMN1; SMN2EPHX2NR1H4MAPTNPC1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2064545-B1 METHOD FOR IDENTIFYING COMPOUNDS THAT ACT AS INSULIN-SENSITIZERS PIRAMAL LIFE SCIENCES LTD (IN) 2012-07-04 EP disclosed
US-7964628-B2 Fibrinogen receptor antagonists and their use PIRAMAL LIFE SCIENCES LIMITED (IN) 2011-06-21 US disclosed
EP-2256496-A2 Method for identifying compounds that act as insulin-sensitizers Piramal Life Sciences Limited (IN) 2010-12-01 EP 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-20090318465-A1 METHOD FOR IDENTIFYING COMPOUNDS THAT ACT AS INSULIN-SENSITIZERS Piramal Enterprises Limited (IN) 2009-12-24 US disclosed
EP-2064545-A2 METHOD FOR IDENTIFYING COMPOUNDS THAT ACT AS INSULIN-SENSITIZERS Piramal Life Sciences Limited (IN) 2009-06-03 EP disclosed
WO-2008035309-A2 METHOD FOR IDENTIFYING COMPOUNDS THAT ACT AS INSULIN-SENSITIZERS PIRAMAL LIFE SCIENCES LIMITED (IN) 2008-03-27 WO disclosed
US-20070021489-A1 Fibrinogen receptor antagonists and their use NICHOLAS PIRAMAL INDIA LIMITED (IN) 2007-01-25 US 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 (3 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 4690/4885EPHX2 2113/4885NR1H4 945/4885
US-20070021489-A1 Fibrinogen receptor antagonists and their use FGB, F13B, F2 SMN1; SMN2 4690/4885EPHX2 2113/4885NR1H4 945/4885
US-20090318465-A1 METHOD FOR IDENTIFYING COMPOUNDS THAT ACT AS INSULIN-SENSITIZERS GPR119, SLC2A4, INSR SMN1; SMN2 3461/4885EPHX2 4236/4885NR1H4 524/4885

“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.