SCHEMBL5567435

SCHEMBL5567435

CC(N)C(=O)[C@]1(C(=O)OCCCBr)CCCN1C(=O)C(C)CS

nearest known ligand 0.31

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACE P12821 3/20 0.30
KDM4E B2RXH2 1/20 0.30
F2 P00734 1/20 0.30
REN P00797 1/20 0.30
LMNA P02545 1/20 0.30
LTA4H P09960 1/20 0.30
MAPT P10636 1/20 0.30
PEPD P12955 1/20 0.30
ALOX15 P16050 1/20 0.30
PTGS1 P23219 1/20 0.30
HTR2A P28223 1/20 0.30
PTGS2 P35354 1/20 0.30
HRH1 P35367 1/20 0.30
THPO P40225 1/20 0.30
PMP22 Q01453 1/20 0.30
HSD17B10 Q99714 1/20 0.30
ACE2 Q9BYF1 1/20 0.30

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
Hydrochloric Acid SCHEMBL5570438 0.85 TTPA (0.32)
SCHEMBL5565884 0.81 CTSL (0.32) HRH1
Hydrochloric Acid SCHEMBL5570670 0.80 ACE (0.39) ACEKDM4EF2RENLMNA
Hydrochloric Acid SCHEMBL6026941 0.74 CA12 (0.36)
Hydrochloric Acid SCHEMBL5569215 0.68 ACE (0.39) ACEKDM4EF2RENLMNA
SCHEMBL5567439 0.67
SCHEMBL6559378 0.67 DPP4 (0.37)
SCHEMBL8519951 0.65 ACE (0.43) ACEKDM4EF2RENLMNA
SCHEMBL11605553 0.65 ACE (0.43) ACEKDM4EF2RENLMNA
SCHEMBL11605557 0.65 ACE (0.43) ACEKDM4EF2RENLMNA

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 2 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
US-20040259808-A1 Captopril derivatives NICOX S.A. (FR) 2004-12-23 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-20040259808-A1 Captopril derivatives REN, ACE, NPPA ACE 2/4885KDM4E 4231/4885F2 2451/4885

“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.