SCHEMBL5146358

SCHEMBL5146358

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

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSS P25774 5/20 0.45
CTSK P43235 5/20 0.45
CA12 O43570 4/20 0.39
CA14 Q9ULX7 4/20 0.39
CA1 P00915 3/20 0.39
CA7 P43166 3/20 0.39
CA2 P00918 5/20 0.38
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
SYK P43405 1/20 0.36

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
SCHEMBL6484859 0.82 CTSK (0.49) CTSSCTSKCA1CA7CA2
SCHEMBL7831409 0.79 CTSK (0.44) CTSSCTSKCA12CA14CA1
SCHEMBL22196466 0.79 CTSK (0.44) CTSSCTSKCA12CA14CA1
SCHEMBL7549986 0.79 CTSK (0.44) CTSSCTSKCA12CA14CA1
SCHEMBL18614255 0.77 CTSK (0.52) CTSSCTSKCA1CA7CA2
SCHEMBL3448016 0.77 CTSK (0.52) CTSSCTSKCA1CA7CA2
SCHEMBL7273189 0.77 CTSK (0.52) CTSSCTSKCA1CA7CA2
SCHEMBL2577312 0.76 CTSK (0.53) CTSSCTSKCA1CA7CA2
SCHEMBL12189206 0.75 CTSS (0.67) CTSSCTSKCA1CA7CA2
SCHEMBL2159319 0.75 CTSS (0.67) CTSSCTSKCA1CA7CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070167483-A1 2-[(2-Isopropylsulfanyl-3-oxo-spiro[3.5]non-1-en-1-yl)amino]-3-[4-([2,7]naphthyridin-1-ylamino)phenyl]propanoic acid; compounds can inhibit the binding of integrins to their ligands and are of use in the prophylaxis and treatment of immuno or inflammatory disorders UCB PHARMA S.A. (BE) 2007-07-19 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-20070167483-A1 2-[(2-Isopropylsulfanyl-3-oxo-spiro[3.5]non-1-en-1-yl)amino]-3-[4-([2,7]naphthyridin-1-ylamino)phenyl]propanoic acid; compounds can inhibit the binding of integrins to their ligands and are of use in the prophylaxis and treatment of immuno or inflammatory disorders ITGB2, VCAM1, ITGB1 CTSS 2567/4885CTSK 3334/4885CA12 2497/4885

“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.