SCHEMBL1503937

SCHEMBL1503937

COCC(=O)N1CC[C@H](NC(=O)C(=O)Nc2ccc(Cl)cc2)[C@H](NC(=O)O)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.43
EPHX2 P34913 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
F10 P00742 1/20 0.43
ALOX5 P09917 1/20 0.42
IDO1 P14902 1/20 0.42
MAPK11 Q15759 2/20 0.42
MAPK14 Q16539 2/20 0.42
GAA P10253 1/20 0.41
KDM4C Q9H3R0 1/20 0.41
FPR1 P21462 5/20 0.41
FPR2 P25090 3/20 0.41
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
NFKB1 P19838 1/20 0.40
RAB9A P51151 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40

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
SCHEMBL4952000 0.91 F10 (0.42) SMN1; SMN2EPHX2L3MBTL1F10ALOX5
SCHEMBL12056138 0.88 EPHX2 (0.45) SMN1; SMN2EPHX2L3MBTL1ALOX5IDO1
SCHEMBL4268437 0.88 EPHX2 (0.40) SMN1; SMN2EPHX2L3MBTL1F10ALOX5
SCHEMBL4268432 0.88 EPHX2 (0.40) SMN1; SMN2EPHX2L3MBTL1F10ALOX5
SCHEMBL1504205 0.87
SCHEMBL1503901 0.86 F10 (0.43) SMN1; SMN2EPHX2L3MBTL1F10IDO1
SCHEMBL1503858 0.83 F10 (0.42) SMN1; SMN2L3MBTL1F10MAPK11MAPK14
SCHEMBL6362439 0.83 EPHX2 (0.40) SMN1; SMN2EPHX2L3MBTL1F10ALOX5
SCHEMBL4271910 0.80 EPHX2 (0.39) SMN1; SMN2EPHX2L3MBTL1F10ALOX5
SCHEMBL4271905 0.80 EPHX2 (0.39) SMN1; SMN2EPHX2L3MBTL1F10ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1405852-B9 DIAMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2013-03-27 EP disclosed
EP-1405852-B1 DIAMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2012-08-01 EP disclosed
US-20110312990-A1 Diamine Derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-12-22 US disclosed
EP-2343290-A1 Diamine derivatives as factor X inhibitors Daiichi Sankyo Company, Limited (JP) 2011-07-13 EP disclosed
US-20110077266-A1 Diamine Derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-03-31 US disclosed
US-20100093785-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2010-04-15 US disclosed
US-20090270446-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-10-29 US disclosed
US-7365205-B2 Cyclic diamine derivatives useful as agents for preventing and/or treating cerebral infarction, cerebral embolism, myocardial infarction, angina pectoris, pulmonary infarction, pulmonary embolism; inhibit activated blood coagulation factor X DAIICHI SANKYO COMPANY, LIMITED (JP) 2008-04-29 US disclosed
US-7342014-B2 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-03-11 US disclosed
US-20080015215-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-01-17 US disclosed
US-20050245565-A1 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-11-03 US disclosed
US-20050020645-A1 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-01-27 US disclosed
EP-1415992-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-05-06 EP disclosed
EP-1405852-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-04-07 EP 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 (7 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-20090270446-A1 DIAMINE DERIVATIVES F2, TFPI, F3 SMN1; SMN2 4166/4885EPHX2 482/4885L3MBTL1 4055/4885
US-20050020645-A1 Diamine derivatives C9, C1S, C1R SMN1; SMN2 473/4885EPHX2 3356/4885L3MBTL1 385/4885
US-20080015215-A1 DIAMINE DERIVATIVES C9, C1S, C1R SMN1; SMN2 473/4885EPHX2 3356/4885L3MBTL1 385/4885
US-20050245565-A1 Diamine derivatives C9, C1S, C1R SMN1; SMN2 473/4885EPHX2 3356/4885L3MBTL1 385/4885
US-20100093785-A1 DIAMINE DERIVATIVES C9, C1S, C1R SMN1; SMN2 666/4885EPHX2 2815/4885L3MBTL1 309/4885
US-20110077266-A1 Diamine Derivatives F2, TFPI, F3 SMN1; SMN2 4166/4885EPHX2 482/4885L3MBTL1 4055/4885
US-20110312990-A1 Diamine Derivatives C9, C1S, C1R SMN1; SMN2 656/4885EPHX2 3155/4885L3MBTL1 297/4885

“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.