SCHEMBL7545907

SCHEMBL7545907

CCOC(=O)C1CCCN1C(=O)[C@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACE P12821 2/20 0.58
KLK5 Q9Y337 1/20 0.54
F2 P00734 1/20 0.54
PRSS1 P07477 1/20 0.54
CMA1 P23946 11/20 0.51
CTSS P25774 1/20 0.50
CTSK P43235 1/20 0.50
KMT2A Q03164 2/20 0.49
MMEL1 Q495T6 1/20 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
SCHEMBL7545974 1.00 ACE (0.58) ACEKLK5F2PRSS1CMA1
SCHEMBL7538363 0.92 ACE (0.59) ACEKLK5F2PRSS1CMA1
SCHEMBL22962152 0.92 ACE (0.59) ACEKLK5F2PRSS1CMA1
SCHEMBL7539511 0.92 ACE (0.59) ACEKLK5F2PRSS1CMA1
SCHEMBL3693527 0.90 ACE (0.70) ACEKLK5F2PRSS1CMA1
SCHEMBL3693522 0.90 ACE (0.70) ACEKLK5F2PRSS1CMA1
SCHEMBL7537159 0.88 ACE (0.63) ACEKLK5F2PRSS1CMA1
SCHEMBL7148899 0.88 ACE (0.63) ACEKLK5F2PRSS1CMA1
SCHEMBL12658455 0.87 KLK5 (0.69) ACEKLK5F2PRSS1CMA1
SCHEMBL7268512 0.87 KLK5 (0.69) ACEKLK5F2PRSS1CMA1

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-20120122764-A1 SUBSTITUTED CARBAMOYLCYCLOALKYL ACETIC ACID DERIVATIVES AS NEP NOVARTIS AG (CH) 2012-05-17 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-20120122764-A1 SUBSTITUTED CARBAMOYLCYCLOALKYL ACETIC ACID DERIVATIVES AS NEP MME, REN, ECE1 ACE 7/4885KLK5 428/4885F2 3296/4885

“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.