SCHEMBL209116

SCHEMBL209116

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

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.55
KLK5 Q9Y337 3/20 0.46
KLK7 P49862 1/20 0.46
PPARA Q07869 1/20 0.45
TSHR P16473 1/20 0.45
MAPT P10636 1/20 0.45
TRPM8 Q7Z2W7 1/20 0.43
CTSS P25774 3/20 0.43
CTSL P07711 2/20 0.43
CTSK P43235 3/20 0.42
ATM Q13315 1/20 0.42
SIRT2 Q8IXJ6 1/20 0.42
SIRT1 Q96EB6 1/20 0.42
CTSB P07858 1/20 0.42

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
SCHEMBL207511 1.00 SYK (0.55) SYKKLK5KLK7PPARATSHR
SCHEMBL4363469 0.89 SYK (0.57) SYKKLK5KLK7PPARAMAPT
SCHEMBL4356869 0.89 SYK (0.57) SYKKLK5KLK7PPARAMAPT
SCHEMBL1504055 0.86 SYK (0.53) SYKKLK5KLK7PPARATSHR
SCHEMBL2706398 0.86 SYK (0.53) SYKKLK5KLK7PPARATSHR
SCHEMBL209231 0.86 SYK (0.53) SYKKLK5KLK7PPARATSHR
SCHEMBL13473773 0.85 SYK (0.49) SYKKLK5KLK7PPARATSHR
SCHEMBL1503935 0.83 SYK (0.48) SYKKLK5KLK7PPARATSHR
SCHEMBL10634879 0.82 KLK5 (0.58) SYKKLK5TRPM8CTSSCTSL
SCHEMBL10630616 0.82 KLK5 (0.58) SYKKLK5TRPM8CTSSCTSL

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
US-8088796-B2 Triamine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-01-03 US disclosed
US-8088796-B2 Triamine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-01-03 US disclosed
US-8088796-B2 Triamine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-01-03 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-20090281074-A1 DRUG COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING THROMBOSIS OR EMBOLISM DAIICHI PHARMACEUTICAL CO., LTD (JP) 2009-11-12 US disclosed
US-20090239857-A1 TRIAMINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-09-24 US disclosed
US-20090239857-A1 TRIAMINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-09-24 US disclosed
US-20090239857-A1 TRIAMINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-09-24 US disclosed
US-7576135-B2 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-08-18 US disclosed
EP-1864982-A1 TRIAMINE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-12-12 EP disclosed
US-20060252837-A1 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 PHARMACEUTICAL CO., LTD. (JP) 2006-11-09 US disclosed
US-20050119486-A1 Diamine derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2005-06-02 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 (6 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-20090239857-A1 TRIAMINE DERIVATIVE F2, F12, F3 SYK 1556/4885KLK5 1230/4885KLK7 2147/4885
US-20060252837-A1 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 F2, C1S, C9 SYK 2498/4885KLK5 3218/4885KLK7 3701/4885
US-20100093785-A1 DIAMINE DERIVATIVES C9, C1S, C1R SYK 1675/4885KLK5 3666/4885KLK7 4226/4885
US-20090281074-A1 DRUG COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING THROMBOSIS OR EMBOLISM C1R, C9, F2 SYK 1668/4885KLK5 2853/4885KLK7 3494/4885
US-20050119486-A1 Diamine derivatives C9, C1S, C1R SYK 2089/4885KLK5 3922/4885KLK7 4417/4885
US-20110077266-A1 Diamine Derivatives F2, TFPI, F3 SYK 1228/4885KLK5 876/4885KLK7 1083/4885

“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.