SCHEMBL2186501

SCHEMBL2186501

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

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.57
PPARA Q07869 3/20 0.47
MAPT P10636 1/20 0.44
CTSK P43235 3/20 0.43
KLK5 Q9Y337 2/20 0.43
PPARG P37231 2/20 0.43
TRPM8 Q7Z2W7 1/20 0.43
CTSS P25774 2/20 0.42
CTSL P07711 2/20 0.42
ATM Q13315 1/20 0.42
RAB9A P51151 1/20 0.41
CTSB P07858 1/20 0.41
ACE P12821 1/20 0.41

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
SCHEMBL1503845 1.00 SYK (0.57) SYKPPARAMAPTCTSKKLK5
SCHEMBL1504059 0.85 SYK (0.57) SYKPPARAMAPTCTSKPPARG
SCHEMBL1503940 0.84 SYK (0.49) SYKPPARAMAPTCTSKKLK5
SCHEMBL4363469 0.81 SYK (0.57) SYKPPARAMAPTCTSKKLK5
SCHEMBL4356869 0.81 SYK (0.57) SYKPPARAMAPTCTSKKLK5
SCHEMBL209116 0.80 SYK (0.55) SYKPPARAMAPTCTSKKLK5
SCHEMBL207511 0.80 SYK (0.55) SYKPPARAMAPTCTSKKLK5
SCHEMBL3911384 0.79 SYK (0.70) SYKPPARAMAPTCTSKPPARG
SCHEMBL2186497 0.79 SYK (0.57) SYKPPARAMAPTCTSKKLK5
SCHEMBL1503843 0.79 SYK (0.57) SYKPPARAMAPTCTSKKLK5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2343290-A1 Diamine derivatives as factor X inhibitors Daiichi Sankyo Company, Limited (JP) 2011-07-13 EP disclosed
US-20100093785-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2010-04-15 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 (2 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-20100093785-A1 DIAMINE DERIVATIVES C9, C1S, C1R SYK 1675/4885PPARA 4189/4885MAPT 4343/4885
US-20050119486-A1 Diamine derivatives C9, C1S, C1R SYK 2089/4885PPARA 4308/4885MAPT 4271/4885

“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.