SCHEMBL4315422

SCHEMBL4315422

CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CC[C@@H](C)N(S(=O)(=O)c2ccccc2)C[C@H]1O

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.49
MAPK1 P28482 1/20 0.42
MMP2 P08253 3/20 0.41
MMP9 P14780 3/20 0.41
CACNA1B Q00975 3/20 0.41
SCN9A Q15858 3/20 0.41
REN P00797 2/20 0.40
CTSL P07711 2/20 0.40
CTSS P25774 2/20 0.40
CTSB P07858 1/20 0.40
MMP13 P45452 1/20 0.40

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
SCHEMBL4312505 1.00 CTSK (0.49) CTSKMAPK1MMP2MMP9CACNA1B
SCHEMBL4315414 1.00 CTSK (0.49) CTSKMAPK1MMP2MMP9CACNA1B
SCHEMBL4312501 1.00 CTSK (0.49) CTSKMAPK1MMP2MMP9CACNA1B
SCHEMBL13784250 0.89 CTSK (0.52) CTSKCTSLCTSSCTSB
SCHEMBL13784253 0.89 CTSK (0.52) CTSKCTSLCTSSCTSB
SCHEMBL6212545 0.89 CTSK (0.48) CTSKMMP2CACNA1BCTSLCTSS
SCHEMBL6212535 0.89 CTSK (0.48) CTSKMMP2CACNA1BCTSLCTSS
SCHEMBL6242261 0.89 CTSK (0.48) CTSKMMP2CACNA1BCTSLCTSS
SCHEMBL6242254 0.89 CTSK (0.48) CTSKMMP2CACNA1BCTSLCTSS
SCHEMBL7036592 0.85 CTSK (0.51) CTSKMAPK1CACNA1BCTSLCTSS

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-20060194787-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2006-08-31 US claimed
US-20040044201-A1 Protease inhibitors GLAXOSMITHKLINE LLC 2004-03-04 US claimed
US-7563784-B2 Protease inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2009-07-21 US disclosed
US-20060194787-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2006-08-31 US disclosed
US-7071184-B2 Protease inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2006-07-04 US disclosed
US-20040044201-A1 Protease inhibitors GLAXOSMITHKLINE LLC 2004-03-04 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-20060194787-A1 Protease inhibitors CTSK, CTSL, CTSZ CTSK 1/4885MAPK1 2421/4885MMP2 30/4885
US-20040044201-A1 Protease inhibitors CTSK, CTSE, CTSZ CTSK 1/4885MAPK1 2113/4885MMP2 27/4885

“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.