SCHEMBL10074459

SCHEMBL10074459

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

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LAP3 P28838 2/20 0.44
ANPEP P15144 1/20 0.44
RNPEP Q9H4A4 1/20 0.44
DNPEP Q9ULA0 1/20 0.44
ATM Q13315 1/20 0.41
CTSS P25774 5/20 0.40
CTSK P43235 4/20 0.40
SCN9A Q15858 2/20 0.38
AKT1 P31749 1/20 0.38
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
CYP3A4 P08684 4/20 0.37
CHRNB2 P17787 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA4 P43681 1/20 0.37

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
SCHEMBL10074981 0.92 ATM (0.41) ATMCTSSCTSKSCN9AAKT1
SCHEMBL10074275 0.84 LAP3 (0.50) LAP3ANPEPRNPEPDNPEPCHRNB2
SCHEMBL10054504 0.78 SCN9A (0.40) ATMCTSSCTSKSCN9ACTSB
SCHEMBL10078272 0.77 KLK5 (0.40) ATMCTSSCTSKSCN9AAKT1
SCHEMBL10074474 0.76 ATM (0.43) ATMCTSSCTSKSCN9AAKT1
SCHEMBL10074341 0.76 ATM (0.43) ATMCTSSCTSKSCN9AAKT1
SCHEMBL10074490 0.75 ATM (0.40) ATMCTSSCTSKSCN9AAKT1
SCHEMBL10078269 0.75 ATM (0.41) ATMCTSSCTSKSCN9AAKT1
SCHEMBL10077403 0.75 ATM (0.41) ATMCTSSCTSKSCN9AAKT1
SCHEMBL6872873 0.74 ATM (0.48) ATMCTSSCTSKSCN9ACTSL

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 LAP3 186/4885ANPEP 36/4885RNPEP 67/4885

“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.