SCHEMBL10078069

SCHEMBL10078069

CC(C)(CNC(=O)CC(N)Cc1cc(F)ccc1F)CNC(=O)C(O)C(COCc1ccccc1)NC(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 3/20 0.42
KLK5 Q9Y337 3/20 0.41
REN P00797 2/20 0.40
PPARA Q07869 2/20 0.40
SCN9A Q15858 2/20 0.39
CTSK P43235 2/20 0.39
CTSD P07339 1/20 0.38
BACE1 P56817 1/20 0.38
DPP4 P27487 1/20 0.37
DPP7 Q9UHL4 1/20 0.37
PPARG P37231 1/20 0.37
RAB9A P51151 1/20 0.37
PTPN1 P18031 1/20 0.36
APP P05067 1/20 0.36
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36

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
SCHEMBL12333643 0.93 KLK5 (0.45) CTSSKLK5SCN9ACTSKDPP4
SCHEMBL10074460 0.92 CTSS (0.42) CTSSKLK5RENPPARASCN9A
SCHEMBL10074141 0.92 CTSS (0.42) CTSSKLK5RENPPARASCN9A
SCHEMBL10075284 0.92 CTSS (0.40) CTSSKLK5RENPPARASCN9A
SCHEMBL10074727 0.89 SYK (0.42) CTSSKLK5RENPPARASCN9A
SCHEMBL10078394 0.89 SYK (0.42) CTSSKLK5RENPPARASCN9A
SCHEMBL10074252 0.89 SYK (0.42) CTSSKLK5RENPPARASCN9A
SCHEMBL10078062 0.89 CTSS (0.40) CTSSKLK5RENPPARASCN9A
SCHEMBL10074326 0.88 DPP4 (0.41) RENDPP4DPP7
SCHEMBL10074457 0.88 DPP4 (0.41) RENDPP4DPP7

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 43/4885KLK5 602/4885REN 449/4885

“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.