SCHEMBL1642187

SCHEMBL1642187

CC(=O)NC(CC(=O)O)C(=O)NC(CF)P(=O)(O)CC(C)C(=O)NC(C)C(C)=O

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.60
CPA1 P15085 6/20 0.38
CPA2 P48052 6/20 0.38
CPA4 Q9UI42 6/20 0.38
ACE2 Q9BYF1 2/20 0.38
CPB1 P15086 1/20 0.38
BACE1 P56817 4/20 0.37
CTSD P07339 1/20 0.37
BACE2 Q9Y5Z0 1/20 0.37
GNPAT O15228 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
SCHEMBL30524413 0.75 ACE (1.00) ACECPA1CPA2CPA4ACE2
SCHEMBL31181186 0.70 GNPAT (0.56) ACECPA1ACE2GNPAT
SCHEMBL20694366 0.67 GNPAT (0.39) ACECPA1ACE2GNPAT
SCHEMBL17424531 0.66 GNPAT (0.60) ACEGNPAT
SCHEMBL23643116 0.66 ALDH1A1 (0.39) ACEGNPAT
SCHEMBL20231649 0.65 GNPAT (0.58) ACEGNPAT
SCHEMBL31162635 0.65 GNPAT (0.51) ACEBACE1CTSDBACE2GNPAT
SCHEMBL21738190 0.64 GNPAT (0.47) ACEGNPAT
SCHEMBL20230310 0.64 GNPAT (0.56) ACEGNPAT
SCHEMBL22862417 0.63 GNPAT (0.69) GNPAT

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-20120088730-A1 USE OF ANGIOTENSIN CONVERTING ENZYME (ACE) DOMAIN SPECIFIC INHIBITORS TO INHIBIT OR ENHANCE CYTOKINE PRODUCTION AND ALTER IMMUNE RESPONSE CEDARS-SINAI MEDICAL CENTER (US) 2012-04-12 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-20120088730-A1 USE OF ANGIOTENSIN CONVERTING ENZYME (ACE) DOMAIN SPECIFIC INHIBITORS TO INHIBIT OR ENHANCE CYTOKINE PRODUCTION AND ALTER IMMUNE RESPONSE ACE, ACE2, AGT ACE 1/4885CPA1 25/4885CPA2 31/4885

“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.