SCHEMBL2916294

SCHEMBL2916294

CC(C)CC(NC(=O)c1ccc2ccccc2c1)C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRN P28799 2/20 0.65
SORT1 Q99523 2/20 0.65
PIN1 Q13526 7/20 0.62
CTSK P43235 4/20 0.58
CASP1 P29466 1/20 0.57
CASP3 P42574 1/20 0.57
CA2 P00918 3/20 0.56
CA1 P00915 2/20 0.56
TAS1R3 Q7RTX0 2/20 0.54
TAS1R1 Q7RTX1 2/20 0.54

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
SCHEMBL2916297 1.00 GRN (0.65) GRNSORT1PIN1CTSKCASP1
SCHEMBL7427022 0.91 PIN1 (0.56) GRNSORT1PIN1CTSKCASP1
SCHEMBL7421313 0.89 PIN1 (0.54) GRNSORT1PIN1CTSKCASP1
SCHEMBL4211750 0.86 TAS1R3 (0.71) TAS1R3TAS1R1
SCHEMBL11918871 0.86 TAS1R3 (0.71) TAS1R3TAS1R1
SCHEMBL4211753 0.86 TAS1R3 (0.71) TAS1R3TAS1R1
SCHEMBL12984637 0.84 PIN1 (0.70) PIN1CA2CA1
SCHEMBL13753280 0.84 MLYCD (0.55) PIN1CTSKCASP1CASP3TAS1R3
SCHEMBL12984634 0.84 PIN1 (0.70) PIN1CA2CA1
SCHEMBL2158900 0.84 CTSL (0.67) GRNSORT1CTSKCA2CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050118409-A1 Chelator-modified inorganic oxide particles NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2005-06-02 US claimed
WO-2005037397-A1 CHELATOR-MODIFIED INORGANIC OXIDE PARTICLES ZIRCHROM SEPARATIONS, INC. (US) 2005-04-28 WO claimed
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
CN-1273444-C Dipeptide nitriles NOVARTIS AG (CH) 2006-09-06 CN 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
CN-1278244-A Dipeptide nitriles NOVARTIS AG (CH) 2000-12-27 CN 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

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 GRN 1633/4885SORT1 1978/4885PIN1 2115/4885
US-20040029814-A1 Dipeptide nitriles NOS1, CTSL, CTSS GRN 1468/4885SORT1 2215/4885PIN1 2691/4885
US-20060235220-A1 Dipeptide nitriles CTSL, CTSS, CTSB GRN 1381/4885SORT1 2086/4885PIN1 1458/4885
US-20080027060-A1 DIPEPTIDE NITRILES CTSL, CTSS, CTSB GRN 1381/4885SORT1 2086/4885PIN1 1458/4885

“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.