SCHEMBL10074992

SCHEMBL10074992

CC(=O)O[C@H](C(=O)NCC(C)(C)CNC(=O)CC(Cc1cc(F)ccc1F)NC(C)C)[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSS P25774 6/20 0.38
REN P00797 2/20 0.37
SCN9A Q15858 2/20 0.37
PPARA Q07869 2/20 0.36
KLK5 Q9Y337 5/20 0.36
CTSK P43235 3/20 0.36
CTSD P07339 1/20 0.34
BACE1 P56817 1/20 0.34
PPARG P37231 1/20 0.34
KLK7 P49862 2/20 0.33
PTPN1 P18031 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL10074282 0.95 CTSS (0.40) CTSSRENSCN9APPARAKLK5
SCHEMBL10074290 0.95 CTSS (0.40) CTSSRENSCN9APPARAKLK5
SCHEMBL10074470 0.92 SYK (0.40) CTSSRENSCN9APPARAKLK5
SCHEMBL10078061 0.91 CTSS (0.38) CTSSRENSCN9APPARAKLK5
SCHEMBL10075284 0.90 CTSS (0.40) CTSSRENSCN9APPARAKLK5
SCHEMBL10078262 0.89 MMP12 (0.36) CTSSRENSCN9APPARA
SCHEMBL10074719 0.89 CTSS (0.41) CTSSRENSCN9APPARAKLK5
SCHEMBL10077515 0.88 CACNA1B (0.36) CTSSRENSCN9APPARAKLK5
SCHEMBL10075282 0.88 CACNA1B (0.36) CTSSRENSCN9APPARAKLK5
SCHEMBL10074460 0.86 CTSS (0.42) CTSSRENSCN9APPARAKLK5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2418196-A1 Dual alanyl-aminopeptidase and dipeptidyl-peptidase IV inhibitors IMTM GmbH (DE) 2012-02-15 EP disclosed
US-20120028995-A1 NOVEL COMPOUNDS FOR MEDICAL USE AS PEPTIDASE EFFECTORS IMTM GMBH (DE) 2012-02-02 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 (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-20120028995-A1 NOVEL COMPOUNDS FOR MEDICAL USE AS PEPTIDASE EFFECTORS SERPINB1, CMA1, CPA3 CTSS 43/4885REN 449/4885SCN9A 4524/4885

“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.