SCHEMBL2913037

SCHEMBL2913037

CC(C)CC(NC(=O)c1ccc(S(=O)(=O)CCN2CCCC2)cc1)C(=O)N(C)C#N

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSB P07858 9/20 0.53
CTSL P07711 9/20 0.53
CTSK P43235 6/20 0.53
CTSS P25774 5/20 0.53
CA1 P00915 3/20 0.43
CA2 P00918 2/20 0.43
CA12 O43570 3/20 0.42
CA9 Q16790 3/20 0.42
CTSF Q9UBX1 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
SCHEMBL2913035 0.84 CTSL (0.60) CTSBCTSLCTSKCTSSCA1
SCHEMBL2917597 0.82 CTSB (0.49) CTSBCTSLCTSKCTSSCTSF
SCHEMBL7511749 0.81 CA2 (0.67) CTSBCTSLCTSKCTSSCA1
SCHEMBL6185393 0.80 CTSB (0.47) CTSBCTSLCTSKCTSS
SCHEMBL7507757 0.77 CTSK (0.54) CTSBCTSLCTSKCTSS
SCHEMBL7488759 0.76 CTSK (0.49) CTSBCTSLCTSKCTSS
SCHEMBL6182874 0.76 CTSB (0.61) CTSBCTSLCTSKCTSSCA1
SCHEMBL6183809 0.76 CTSB (0.61) CTSBCTSLCTSKCTSSCA1
SCHEMBL6182791 0.76 CTSB (0.61) CTSBCTSLCTSKCTSSCA1
SCHEMBL6183805 0.76 CTSB (0.61) CTSBCTSLCTSKCTSSCA1

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
EP-1028942-B1 DIPEPTIDE NITRILES NOVARTIS AG (CH) 2010-09-01 EP disclosed
US-20080027060-A1 DIPEPTIDE NITRILES ALTMANN EVA 2008-01-31 US disclosed
US-20060235220-A1 Dipeptide nitriles MISSBACH MARTIN 2006-10-19 US disclosed
US-20040110806-A1 Dipeptide derivatives ALTMANN EVA (CH) 2004-06-10 US disclosed
US-20040029814-A1 Dipeptide nitriles ALTMANN EVA (CH) 2004-02-12 US disclosed
US-6353017-B1 INHIBITORS OF CATHESPINS USING DIPEPTIDE NITRILES AS ANTIINFLAMMATORY AGENTS AND ANTIARTHRITIC AGENTS NOVARTIS AG (CH) 2002-03-05 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 (4 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-20040110806-A1 Dipeptide derivatives CTSL, CTSZ, CTSS CTSB 5/4885CTSL 1/4885CTSK 4/4885
US-20040029814-A1 Dipeptide nitriles NOS1, CTSL, CTSS CTSB 5/4885CTSL 2/4885CTSK 4/4885
US-20060235220-A1 Dipeptide nitriles CTSL, CTSS, CTSB CTSB 3/4885CTSL 1/4885CTSK 6/4885
US-20080027060-A1 DIPEPTIDE NITRILES CTSL, CTSS, CTSB CTSB 3/4885CTSL 1/4885CTSK 6/4885

“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.