SCHEMBL4363469

SCHEMBL4363469

CC(C)(C)OC(=O)N[C@H](CO)[C@@H](CC(=O)O)NC(=O)OCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.57
KLK5 Q9Y337 3/20 0.49
PPARA Q07869 1/20 0.48
MAPT P10636 1/20 0.48
CASP1 P29466 4/20 0.46
TRPM8 Q7Z2W7 1/20 0.46
CTSS P25774 2/20 0.46
CTSK P43235 2/20 0.46
ATM Q13315 2/20 0.46
CTSL P07711 2/20 0.45
CTSB P07858 1/20 0.45
KLK7 P49862 1/20 0.45

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
SCHEMBL4356869 1.00 SYK (0.57) SYKKLK5PPARAMAPTCASP1
SCHEMBL10350971 0.91 KLK5 (0.57) SYKKLK5PPARAMAPTCASP1
SCHEMBL209116 0.89 SYK (0.55) SYKKLK5PPARAMAPTTRPM8
SCHEMBL207511 0.89 SYK (0.55) SYKKLK5PPARAMAPTTRPM8
SCHEMBL10630644 0.88 CTSK (0.55) SYKKLK5PPARACTSSCTSK
SCHEMBL11026023 0.88 SYK (0.57) SYKKLK5PPARAMAPTCASP1
SCHEMBL10628673 0.88 SYK (0.57) SYKKLK5PPARAMAPTCASP1
SCHEMBL4364181 0.85 SYK (0.54) SYKKLK5PPARAMAPTCASP1
SCHEMBL7216424 0.85 SYK (0.61) SYKKLK5PPARAMAPTCASP1
SCHEMBL6936043 0.85 SYK (0.61) SYKKLK5PPARAMAPTCASP1

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 11 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
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 (5 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 SYK 1228/4885KLK5 876/4885PPARA 3468/4885
US-20050020645-A1 Diamine derivatives C9, C1S, C1R SYK 2089/4885KLK5 3922/4885PPARA 4308/4885
US-20080015215-A1 DIAMINE DERIVATIVES C9, C1S, C1R SYK 2089/4885KLK5 3922/4885PPARA 4308/4885
US-20050245565-A1 Diamine derivatives C9, C1S, C1R SYK 2089/4885KLK5 3922/4885PPARA 4308/4885
US-20110312990-A1 Diamine Derivatives C9, C1S, C1R SYK 1979/4885KLK5 3828/4885PPARA 4353/4885

“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.