SCHEMBL7404249

SCHEMBL7404249

COc1nsc(N[C@@H](CC(C)C)C(=O)N2CCC[C@H]2C(=O)O)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE P12821 10/20 0.42
REN P00797 4/20 0.41
LMNA P02545 2/20 0.41
KDM4E B2RXH2 1/20 0.41
F2 P00734 1/20 0.41
LTA4H P09960 1/20 0.41
MAPT P10636 1/20 0.41
PEPD P12955 1/20 0.41
ALOX15 P16050 1/20 0.41
PTGS1 P23219 1/20 0.41
HTR2A P28223 1/20 0.41
PTGS2 P35354 1/20 0.41
HRH1 P35367 1/20 0.41
THPO P40225 1/20 0.41
PMP22 Q01453 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ACE2 Q9BYF1 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
RAB9A P51151 1/20 0.41

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
Tromethamine SCHEMBL8195481 0.94 ACE (0.38) ACERENLMNAKDM4EF2
SCHEMBL7646534 0.92 PEPD (0.39) ACELMNAF2PEPDMEN1
SCHEMBL8195483 0.91 ACE (0.37) ACERENLMNAKDM4EF2
SCHEMBL7507218 0.89 REN (0.39) ACERENLMNAKDM4EF2
SCHEMBL7396669 0.89 KMT2A (0.44) ACERENLMNAKDM4EF2
SCHEMBL7447829 0.87 ACE (0.46) ACERENLMNAKDM4EF2
SCHEMBL7402401 0.87 ACE (0.44) ACERENLMNAKDM4EF2
SCHEMBL7404464 0.83 KMT2A (0.43) ACERENLMNAKDM4EF2
SCHEMBL7404462 0.83 KMT2A (0.43) ACERENLMNAKDM4EF2
SCHEMBL7400095 0.83 ACE (0.51) ACELMNALTA4HALOX15HSD17B10

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-6468977-B1 COMPOUNDS USEFUL IN TREATMENT TREATMENT OF DISORDER AND/OR DISEASE CAUSED BY ACTIVITY OF ENZYMES SUCH AS HUMAN RHINOVIRUS 3C PROTEASE, TRANSGLUTAMINASE AND CATHEPSINS APOTEX INC. (CA) 2002-10-22 US claimed
WO-2001090095-A1 THIADIAZOLE COMPOUNDS USEFUL AS INHIBITORS OF CYSTEINE ACTIVITY DEPENDENT ENZYMES APOTEX INC. (CA) 2001-11-29 WO claimed
US-6162791-A Thiadiazole compounds useful as inhibitors of cysteine activity dependent enzymes APOTEX INC. (CA) 2000-12-19 US claimed
EP-1058690-A1 THIADIAZOLE COMPOUNDS USEFUL AS INHIBITORS OF CYSTEINE ACTIVITY DEPENDENT ENZYMES APOTEX INC. (CA) 2000-12-13 EP claimed
WO-1999045027-A1 THIADIAZOLE COMPOUNDS USEFUL AS INHIBITORS OF CYSTEINE ACTIVITY DEPENDENT ENZYMES APOTEX INC. (CA) 1999-09-10 WO claimed
US-20070293937-A1 Endoluminal medical device for local delivery of cathepsin inhibitors, method of making and treating MED INSTITUTE, INC. 2007-12-20 US disclosed
US-20070293937-A1 Endoluminal medical device for local delivery of cathepsin inhibitors, method of making and treating MED INSTITUTE, INC. 2007-12-20 US disclosed
WO-2007081530-A2 ENDOLUMINAL MEDICAL DEVICE FOR LOCAL DELIVERY OF CATHEPSIN INHIBITORS MED INSTITUTE, INC. (US) 2007-07-19 WO disclosed
US-6468977-B1 COMPOUNDS USEFUL IN TREATMENT TREATMENT OF DISORDER AND/OR DISEASE CAUSED BY ACTIVITY OF ENZYMES SUCH AS HUMAN RHINOVIRUS 3C PROTEASE, TRANSGLUTAMINASE AND CATHEPSINS APOTEX INC. (CA) 2002-10-22 US disclosed
US-6162791-A Thiadiazole compounds useful as inhibitors of cysteine activity dependent enzymes APOTEX INC. (CA) 2000-12-19 US disclosed
EP-1058690-A1 THIADIAZOLE COMPOUNDS USEFUL AS INHIBITORS OF CYSTEINE ACTIVITY DEPENDENT ENZYMES APOTEX INC. (CA) 2000-12-13 EP disclosed
WO-1999045027-A1 THIADIAZOLE COMPOUNDS USEFUL AS INHIBITORS OF CYSTEINE ACTIVITY DEPENDENT ENZYMES APOTEX INC. (CA) 1999-09-10 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 (1 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-20070293937-A1 Endoluminal medical device for local delivery of cathepsin inhibitors, method of making and treating CTSS, CTSD, CTSV ACE 22/4885REN 349/4885LMNA 459/4885

“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.