SCHEMBL1503935

SCHEMBL1503935

CCOC(=O)C[C@@H](NC(=O)OCc1ccccc1)[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)NC(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.48
PPARA Q07869 2/20 0.43
KLK5 Q9Y337 4/20 0.43
KLK7 P49862 2/20 0.43
TSHR P16473 1/20 0.42
CTSS P25774 4/20 0.41
MAPT P10636 1/20 0.41
PPARG P37231 1/20 0.40
SIRT2 Q8IXJ6 1/20 0.39
SIRT1 Q96EB6 1/20 0.39
CTSK P43235 5/20 0.39
CTSL P07711 2/20 0.39
CTSB P07858 1/20 0.39
CASP1 P29466 1/20 0.39

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
SCHEMBL4366490 0.91 SYK (0.48) SYKPPARAKLK5KLK7CTSS
SCHEMBL207511 0.83 SYK (0.55) SYKPPARAKLK5KLK7TSHR
SCHEMBL209116 0.83 SYK (0.55) SYKPPARAKLK5KLK7TSHR
SCHEMBL1503940 0.83 SYK (0.49) SYKPPARAKLK5KLK7CTSS
SCHEMBL5221855 0.83 SYK (0.50) SYKPPARAKLK5KLK7CTSS
SCHEMBL5221861 0.83 SYK (0.50) SYKPPARAKLK5KLK7CTSS
SCHEMBL5826373 0.83 CTSS (0.48) SYKCTSSCTSKCTSLCTSB
SCHEMBL27125801 0.81 SYK (0.53) SYKPPARAKLK5KLK7CTSS
SCHEMBL26978909 0.81 SYK (0.53) SYKPPARAKLK5KLK7CTSS
SCHEMBL25401074 0.80 ATM (0.47) SYKCTSSCTSKCTSLCTSB

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-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-7576135-B2 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-08-18 US 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 (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-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 2498/4885PPARA 3513/4885KLK5 3218/4885
US-20100093785-A1 DIAMINE DERIVATIVES C9, C1S, C1R SYK 1675/4885PPARA 4189/4885KLK5 3666/4885
US-20090281074-A1 DRUG COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING THROMBOSIS OR EMBOLISM C1R, C9, F2 SYK 1668/4885PPARA 4580/4885KLK5 2853/4885
US-20050119486-A1 Diamine derivatives C9, C1S, C1R SYK 2089/4885PPARA 4308/4885KLK5 3922/4885
US-20110077266-A1 Diamine Derivatives F2, TFPI, F3 SYK 1228/4885PPARA 3468/4885KLK5 876/4885

“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.