SCHEMBL10074981

SCHEMBL10074981

CC(C)(C)OC(=O)NC(CCCCNCCNC(=O)C(O)C(Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1cc(F)ccc1F

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.41
KLK5 Q9Y337 2/20 0.41
CTSS P25774 5/20 0.40
CTSK P43235 4/20 0.40
SCN9A Q15858 2/20 0.39
AKT1 P31749 1/20 0.38
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
CYP3A4 P08684 2/20 0.38

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
SCHEMBL10074459 0.92 LAP3 (0.44) ATMCTSSCTSKSCN9AAKT1
SCHEMBL10078272 0.85 KLK5 (0.40) ATMKLK5CTSSCTSKSCN9A
SCHEMBL10074341 0.85 ATM (0.43) ATMKLK5CTSSCTSKSCN9A
SCHEMBL10074474 0.85 ATM (0.43) ATMKLK5CTSSCTSKSCN9A
SCHEMBL6872873 0.83 ATM (0.48) ATMKLK5CTSSCTSKSCN9A
SCHEMBL10077403 0.83 ATM (0.41) ATMKLK5CTSSCTSKSCN9A
SCHEMBL10078269 0.83 ATM (0.41) ATMKLK5CTSSCTSKSCN9A
SCHEMBL10074490 0.81 ATM (0.40) ATMKLK5CTSSCTSKSCN9A
SCHEMBL12291410 0.81 KLK5 (0.45) ATMKLK5CTSSCTSKSCN9A
SCHEMBL12849466 0.81 KLK5 (0.42) ATMKLK5CTSSCTSKSCN9A

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 ATM 3559/4885KLK5 602/4885CTSS 43/4885

“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.