SCHEMBL6936008

SCHEMBL6936008

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

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KLK5 Q9Y337 3/20 0.52
KLK7 P49862 1/20 0.52
SYK P43405 1/20 0.52
PPARA Q07869 3/20 0.49
ATM Q13315 1/20 0.49
CTSS P25774 4/20 0.47
CTSL P07711 2/20 0.46
MAPT P10636 1/20 0.46
PPARG P37231 2/20 0.45
CTSK P43235 2/20 0.45
CTSB P07858 1/20 0.45
ALDH1A1 P00352 1/20 0.43
ACE P12821 1/20 0.43

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
SCHEMBL6936043 0.84 SYK (0.61) KLK5KLK7SYKPPARAATM
SCHEMBL7216424 0.84 SYK (0.61) KLK5KLK7SYKPPARAATM
SCHEMBL8972541 0.84 KLK5 (0.55) KLK5KLK7SYKPPARAATM
SCHEMBL75663 0.84 KLK5 (0.55) KLK5KLK7SYKPPARAATM
SCHEMBL23971349 0.83 KLK5 (0.52) KLK5KLK7SYKPPARAATM
SCHEMBL1261930 0.83 KLK5 (0.52) KLK5KLK7SYKPPARAATM
SCHEMBL7975866 0.83 KLK5 (0.52) KLK5KLK7SYKPPARAATM
SCHEMBL344670 0.82 PPARA (0.63) KLK5KLK7SYKPPARACTSS
SCHEMBL9943562 0.82 KLK5 (0.65) KLK5KLK7SYKPPARACTSS
SCHEMBL344669 0.82 PPARA (0.63) KLK5KLK7SYKPPARACTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030114488-A1 New processes for producing beta-alanine derivatives FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2003-06-19 US disclosed
US-6538007-B1 Hydrates and method of antogonizing glycoprotein IIb/IIIa activity using these compounds is also disclosed. antagonist, inhibitor of blood platelets aggregation and inhibitor of the binding of fibrinogen to blood platelets. FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-03-25 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 (1 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-20030114488-A1 New processes for producing beta-alanine derivatives BCAT1, BCAT2, AGXT KLK5 1342/4885KLK7 1756/4885SYK 4836/4885

“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.