SCHEMBL10078061

SCHEMBL10078061

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

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSS P25774 4/20 0.38
SCN9A Q15858 2/20 0.36
PPARA Q07869 2/20 0.36
KLK5 Q9Y337 4/20 0.36
REN P00797 2/20 0.36
CTSK P43235 3/20 0.35
KLK7 P49862 2/20 0.34
PPARG P37231 1/20 0.34
CTSD P07339 1/20 0.33
BACE1 P56817 1/20 0.33
PTPN1 P18031 1/20 0.33
SYK P43405 1/20 0.33
ATM Q13315 1/20 0.33
RAB9A P51151 1/20 0.32

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
SCHEMBL10074290 0.97 CTSS (0.40) CTSSSCN9APPARAKLK5REN
SCHEMBL10074282 0.97 CTSS (0.40) CTSSSCN9APPARAKLK5REN
SCHEMBL10074470 0.94 SYK (0.40) CTSSSCN9APPARAKLK5REN
SCHEMBL10078062 0.92 CTSS (0.40) CTSSSCN9APPARAKLK5REN
SCHEMBL10074992 0.91 CTSS (0.38) CTSSSCN9APPARAKLK5REN
SCHEMBL10074719 0.91 CTSS (0.41) CTSSSCN9APPARAKLK5REN
SCHEMBL10077515 0.90 CACNA1B (0.36) CTSSSCN9APPARAKLK5REN
SCHEMBL10075282 0.90 CACNA1B (0.36) CTSSSCN9APPARAKLK5REN
SCHEMBL10078262 0.90 MMP12 (0.36) CTSSSCN9APPARAREN
SCHEMBL10075284 0.89 CTSS (0.40) CTSSSCN9APPARAKLK5REN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 43/4885SCN9A 4524/4885PPARA 3830/4885

“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.