SCHEMBL2943333

SCHEMBL2943333

CCC(C)C(N)C(=O)NC(C#N)CC(C)C

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSC P53634 7/20 0.42
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CTSH P09668 1/20 0.39
CYP2D6 P10635 1/20 0.39
CTSK P43235 1/20 0.39
CTSS P25774 2/20 0.38
CTSL P07711 1/20 0.37
DPP4 P27487 7/20 0.36
PLG P00747 1/20 0.35

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
SCHEMBL2182010 0.86 TERT (0.36) CTSCDPP4
SCHEMBL2918279 0.80 CTSC (0.46) CTSCCYP1A2CYP3A4CTSHCYP2D6
SCHEMBL29563014 0.74 ALDH1A1 (0.53)
SCHEMBL29918395 0.74 ACE (0.40) DPP4
SCHEMBL26549290 0.74 ALDH1A1 (0.41) DPP4
SCHEMBL18766260 0.74 ALDH1A1 (0.53)
SCHEMBL3402343 0.74 ALDH1A1 (0.53)
SCHEMBL3010038 0.74 ALDH1A1 (0.53)
SCHEMBL3010040 0.74 ALDH1A1 (0.53)
SCHEMBL15700570 0.74 ALDH1A1 (0.46) DPP4

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 CTSC 9/4885CYP1A2 4129/4885CYP3A4 1490/4885
US-20040029814-A1 Dipeptide nitriles NOS1, CTSL, CTSS CTSC 16/4885CYP1A2 2956/4885CYP3A4 803/4885
US-20060235220-A1 Dipeptide nitriles CTSL, CTSS, CTSB CTSC 12/4885CYP1A2 3454/4885CYP3A4 895/4885
US-20080027060-A1 DIPEPTIDE NITRILES CTSL, CTSS, CTSB CTSC 12/4885CYP1A2 3454/4885CYP3A4 895/4885

“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.