SCHEMBL10053455

SCHEMBL10053455

CC(C)(C)OC(=O)C1CCCN1C(=O)C(Cc1ccccc1)NC(=O)C(C)(C)N

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 7/20 0.56
▸ CMA1 P23946 10/20 0.53
▸ KLK5 Q9Y337 1/20 0.53
▸ F2 P00734 1/20 0.53
▸ PRSS1 P07477 1/20 0.53
▸ ACE2 Q9BYF1 4/20 0.49

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
SCHEMBL10021917 1.00 ACE (0.56) ACECMA1KLK5F2PRSS1
SCHEMBL17081787 1.00 ACE (0.56) ACECMA1KLK5F2PRSS1
SCHEMBL5971091 0.90 ACE (0.59) ACECMA1KLK5F2PRSS1
SCHEMBL7321218 0.86 ACE (0.60) ACECMA1KLK5F2PRSS1
SCHEMBL8365663 0.84 ACE (0.56) ACECMA1KLK5F2PRSS1
SCHEMBL28002546 0.84 KLK5 (0.69) ACECMA1KLK5F2PRSS1
SCHEMBL7268512 0.84 KLK5 (0.69) ACECMA1KLK5F2PRSS1
SCHEMBL28002552 0.84 KLK5 (0.69) ACECMA1KLK5F2PRSS1
SCHEMBL12658455 0.84 KLK5 (0.69) ACECMA1KLK5F2PRSS1
SCHEMBL8366819 0.83 DPP4 (0.58) ACEKLK5F2PRSS1

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-20120034593-A1 CYCLIC PEPTIDES WITH AN ANTI-PARASITIC ACTIVITY CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2012-02-09 — — 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-20120034593-A1 CYCLIC PEPTIDES WITH AN ANTI-PARASITIC ACTIVITY VIP, NGLY1, QPCT ACE 2104/4885CMA1 803/4885KLK5 359/4885

“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.

Send feedback