SCHEMBL10078263

SCHEMBL10078263

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 3/20 0.35
CTSB P07858 3/20 0.35
REN P00797 2/20 0.34
KLK5 Q9Y337 1/20 0.34
CYP3A4 P08684 2/20 0.34
SCN9A Q15858 2/20 0.34
CTSD P07339 2/20 0.33
MMP12 P39900 1/20 0.33
PSMB11 A5LHX3 1/20 0.33
PSMD11 O00231 1/20 0.33
PSMD12 O00232 1/20 0.33
PSMD14 O00487 1/20 0.33
PSMA7 O14818 1/20 0.33
PSMD3 O43242 1/20 0.33
PSMC3 P17980 1/20 0.33
PSMB1 P20618 1/20 0.33
PSMA1 P25786 1/20 0.33
PSMA2 P25787 1/20 0.33
PSMA3 P25788 1/20 0.33
PSMA4 P25789 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
SCHEMBL10074997 0.95 PSMB1 (0.38) CTSSCTSBRENKLK5PSMB11
SCHEMBL10074153 0.95 PSMB1 (0.38) CTSSCTSBRENKLK5PSMB11
SCHEMBL10074460 0.95 CTSS (0.42) CTSSRENKLK5SCN9ACTSD
SCHEMBL10074141 0.95 CTSS (0.42) CTSSRENKLK5SCN9ACTSD
SCHEMBL10077385 0.94 CTSS (0.39) CTSSCTSBRENKLK5SCN9A
SCHEMBL10077059 0.94 CTSS (0.39) CTSSCTSBRENKLK5SCN9A
SCHEMBL10074726 0.94 CTSS (0.39) CTSSCTSBRENKLK5SCN9A
SCHEMBL10078261 0.92 PSMB11 (0.38) CTSSCTSBRENSCN9ACTSD
SCHEMBL10078394 0.92 SYK (0.42) CTSSRENKLK5SCN9ACTSD
SCHEMBL10074727 0.92 SYK (0.42) CTSSRENKLK5SCN9ACTSD

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 43/4885CTSB 32/4885REN 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.