SCHEMBL2918277

SCHEMBL2918277

CC(C)CC(C#N)NC(=O)[CH]CC(C)C(N)=O

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.31
CNR2 P34972 1/20 0.31
CTSS P25774 2/20 0.30
DPP4 P27487 1/20 0.30
CTSB P07858 1/20 0.30

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
SCHEMBL17152493 0.80 MLYCD (0.33)
SCHEMBL6180848 0.78 DPP4 (0.31) DPP4
SCHEMBL6802823 0.76 CTSC (0.56) CTSS
SCHEMBL2943331 0.73 LGMN (0.33) CTSLCNR2CTSSCTSB
SCHEMBL4993085 0.73 CTSS (0.53) CTSLCTSSCTSB
SCHEMBL17152606 0.71 MMP1 (0.39)
SCHEMBL17152577 0.71 CA12 (0.36)
SCHEMBL2914793 0.70 CTSC (0.65) CTSLCTSS
SCHEMBL14889661 0.70 CHRNB2 (0.39)
SCHEMBL7946317 0.70 CHRNB2 (0.39)

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 CTSL 1/4885CNR2 3141/4885CTSS 3/4885
US-20040029814-A1 Dipeptide nitriles NOS1, CTSL, CTSS CTSL 2/4885CNR2 3113/4885CTSS 3/4885
US-20060235220-A1 Dipeptide nitriles CTSL, CTSS, CTSB CTSL 1/4885CNR2 2414/4885CTSS 2/4885
US-20080027060-A1 DIPEPTIDE NITRILES CTSL, CTSS, CTSB CTSL 1/4885CNR2 2414/4885CTSS 2/4885

“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.