SCHEMBL4981797

SCHEMBL4981797

CC(C)(C)OC(=O)N[C@@H](CCCI)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSK P43235 10/20 0.52
CTSS P25774 5/20 0.52
MEN1 O00255 1/20 0.49
GAA P10253 1/20 0.49
KMT2A Q03164 1/20 0.49
ALDH1A1 P00352 1/20 0.46
TSHR P16473 1/20 0.46
PPARA Q07869 5/20 0.45
PPARG P37231 4/20 0.45
CTSL P07711 1/20 0.44
CTSB P07858 1/20 0.44
ITGB3 P05106 1/20 0.44
ITGA2B P08514 1/20 0.44
ACE P12821 1/20 0.44
PPARD Q03181 2/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43

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
SCHEMBL4981804 1.00 CTSK (0.52) CTSKCTSSMEN1GAAKMT2A
SCHEMBL7430204 1.00 CTSK (0.52) CTSKCTSSMEN1GAAKMT2A
SCHEMBL1669009 0.97 CTSK (0.50) CTSKCTSSMEN1GAAKMT2A
SCHEMBL1669007 0.97 CTSK (0.50) CTSKCTSSMEN1GAAKMT2A
SCHEMBL21409086 0.92 CTSK (0.49) CTSKCTSSMEN1GAAKMT2A
SCHEMBL346192 0.92 CTSK (0.49) CTSKCTSSMEN1GAAKMT2A
SCHEMBL9753568 0.92 CTSK (0.49) CTSKCTSSMEN1GAAKMT2A
SCHEMBL6837916 0.91 CTSK (0.56) CTSKCTSSMEN1GAAKMT2A
SCHEMBL14150791 0.91 CTSK (0.56) CTSKCTSSMEN1GAAKMT2A
SCHEMBL6745774 0.91 CTSK (0.56) CTSKCTSSMEN1GAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
EP-1028942-A2 DIPEPTIDE NITRILES Novartis AG (CH) 2000-08-23 EP disclosed
WO-1999024460-A2 DIPEPTIDE NITRILES NOVARTIS AG (CH) 1999-05-20 WO disclosed
WO-1991008737-A2 PHARMACOLOGICALLY ACTIVE AMIDE CARBOXYLATE DERIVATIVES FISONS PLC (GB) 1991-06-27 WO 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 (3 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-20040029814-A1 Dipeptide nitriles NOS1, CTSL, CTSS CTSK 4/4885CTSS 3/4885MEN1 3295/4885
US-20060235220-A1 Dipeptide nitriles CTSL, CTSS, CTSB CTSK 6/4885CTSS 2/4885MEN1 2795/4885
US-20080027060-A1 DIPEPTIDE NITRILES CTSL, CTSS, CTSB CTSK 6/4885CTSS 2/4885MEN1 2795/4885

“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.