SCHEMBL5570281

SCHEMBL5570281

CC(CSC(=O)[C@H](C)NC(=O)OCCCCO[N+](=O)[O-])C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACE P12821 10/20 0.46
ACE2 Q9BYF1 3/20 0.46
REN P00797 4/20 0.43
LMNA P02545 2/20 0.43
KDM4E B2RXH2 1/20 0.43
F2 P00734 1/20 0.43
LTA4H P09960 1/20 0.43
MAPT P10636 1/20 0.43
PEPD P12955 1/20 0.43
ALOX15 P16050 1/20 0.43
PTGS1 P23219 1/20 0.43
HTR2A P28223 1/20 0.43
PTGS2 P35354 1/20 0.43
HRH1 P35367 1/20 0.43
THPO P40225 1/20 0.43
PMP22 Q01453 1/20 0.43
HSD17B10 Q99714 1/20 0.43
RAB9A P51151 1/20 0.38

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
SCHEMBL14600086 1.00 ACE (0.46) ACEACE2RENLMNAKDM4E
SCHEMBL14600104 0.98 ACE (0.46) ACEACE2RENLMNAKDM4E
SCHEMBL14600108 0.91 ACE (0.44) ACEACE2RENLMNAKDM4E
SCHEMBL14600078 0.89 REN (0.44) ACEACE2RENLMNAKDM4E
SCHEMBL5569928 0.88 REN (0.45) ACEACE2RENLMNAKDM4E
SCHEMBL14600080 0.88 REN (0.45) ACEACE2RENLMNAKDM4E
SCHEMBL8303008 0.86 ACE (0.47) ACEACE2RENLMNAKDM4E
SCHEMBL14600107 0.86 ACE (0.43) ACEACE2RENLMNAKDM4E
SCHEMBL5570183 0.86 ACE (0.48) ACEACE2RENLMNAKDM4E
SCHEMBL14600131 0.85 REN (0.36) ACEACE2RENLMNAKDM4E

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
US-7169805-B2 Captopril derivatives NICOX S.A. (FR) 2007-01-30 US disclosed
EP-1626955-A1 CAPTOPRIL DERIVATIVES Nicox S.A. (FR) 2006-02-22 EP disclosed
US-20040259808-A1 Captopril derivatives NICOX S.A. (FR) 2004-12-23 US disclosed
WO-2004106300-A1 CAPTOPRIL DERIVATIVES NICOX S.A. (FR) 2004-12-09 WO 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-20040259808-A1 Captopril derivatives REN, ACE, NPPA ACE 2/4885ACE2 4/4885REN 1/4885

“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.