SCHEMBL6773908

SCHEMBL6773908

COC(=O)C(Cc1ccc2ccccc2n1)NC(=O)C(CSC(C)=O)C1CCc2cc(Br)ccc21

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 15/20 0.42
MME P08473 1/20 0.36
ACE P12821 1/20 0.36
SIRT2 Q8IXJ6 1/20 0.34
PPARA Q07869 1/20 0.34
PDE10A Q9Y233 1/20 0.34
MCHR1 Q99705 1/20 0.34

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
SCHEMBL7019027 0.92 ECE1 (0.50) ECE1MMEACE
SCHEMBL6776727 0.87 ECE1 (0.48) ECE1MMEACEPPARA
SCHEMBL6781829 0.84 ECE1 (0.44) ECE1MMEACEPPARA
SCHEMBL6773549 0.82 NLRP3 (0.46) ECE1MMEACE
SCHEMBL6774432 0.81 SIRT2 (0.51) ECE1SIRT2
SCHEMBL6776402 0.81 ECE1 (0.49) ECE1MMEACE
SCHEMBL6770606 0.81 ECE1 (0.49) ECE1MMEACE
SCHEMBL6774628 0.80 ECE1 (0.64) ECE1MMEACE
SCHEMBL6774623 0.80 ECE1 (0.64) ECE1MMEACE
SCHEMBL7012794 0.80 ECE1 (0.55) ECE1MMEACE

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1186344-C Amino acid compounds and their use as NEP, ACE and ECE inhibitors INST NAT RECH MEDICALE INSERM (FR) 2005-01-26 CN disclosed
US-6716852-B2 FOR THERAPY OF ARTERIAL HYPERTENSION AND CARDIOVASCULAR DISEASES LES LABORATORIES SERVIER (FR) 2004-04-06 US disclosed
US-20030055086-A1 Amino acid derivatives and use thereof as nep, ace and ece inhibitors LES LABORATOIRES SERVIER (FR) 2003-03-20 US disclosed
CN-1400974-A Amino acid derivatives and use thereof as NEP, ACE and ECE inhibitors INST NAT RECH MEDICALE INSERM (FR) 2003-03-05 CN 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-20030055086-A1 Amino acid derivatives and use thereof as nep, ace and ece inhibitors MME, ACE, ECE1 ECE1 3/4885MME 1/4885ACE 2/4885

“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.