SCHEMBL10075284

SCHEMBL10075284

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

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSS P25774 5/20 0.40
PPARA Q07869 2/20 0.38
SCN9A Q15858 2/20 0.38
KLK5 Q9Y337 4/20 0.37
REN P00797 1/20 0.37
CTSK P43235 3/20 0.37
DPP4 P27487 3/20 0.35
DPP7 Q9UHL4 1/20 0.35
CTSD P07339 1/20 0.35
BACE1 P56817 1/20 0.35
PPARG P37231 1/20 0.35
KLK7 P49862 2/20 0.34
PTPN1 P18031 1/20 0.34
KCNH2 Q12809 2/20 0.34
FAP Q12884 2/20 0.34
RAB9A P51151 1/20 0.34
PREP P48147 1/20 0.33
DPP9 Q86TI2 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 0.92 CTSS (0.40) CTSSPPARASCN9AKLK5REN
SCHEMBL10074290 0.92 CTSS (0.40) CTSSPPARASCN9AKLK5REN
SCHEMBL10078069 0.92 CTSS (0.42) CTSSPPARASCN9AKLK5REN
SCHEMBL10074470 0.90 SYK (0.40) CTSSPPARASCN9AKLK5REN
SCHEMBL10074992 0.90 CTSS (0.38) CTSSPPARASCN9AKLK5REN
SCHEMBL10078061 0.89 CTSS (0.38) CTSSPPARASCN9AKLK5REN
SCHEMBL12333643 0.87 KLK5 (0.45) CTSSSCN9AKLK5CTSKDPP4
SCHEMBL10078262 0.86 MMP12 (0.36) CTSSPPARASCN9ARENDPP4
SCHEMBL10074719 0.86 CTSS (0.41) CTSSPPARASCN9AKLK5REN
SCHEMBL10077515 0.85 CACNA1B (0.36) CTSSPPARASCN9AKLK5REN

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 43/4885PPARA 3830/4885SCN9A 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.