SCHEMBL5565884

SCHEMBL5565884

CC(CS)C(=O)N1CCC[C@@]1(C(=O)OCCCBr)C(=O)C(C)NC(=O)OC(C)(C)C

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.32
CTSB P07858 1/20 0.32
CTSK P43235 1/20 0.32
HRH2 P25021 2/20 0.31
HRH1 P35367 2/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA7 P43166 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
SCHEMBL5567101 0.85 CTSL (0.36) CTSLCTSBCTSKHRH2HRH1
SCHEMBL5569273 0.72 ACE (0.35) CTSLCTSBCTSKHRH1
SCHEMBL27808912 0.69 CA1 (0.47) CTSLCTSBCTSKCA1CA2
SCHEMBL27808914 0.69 CA1 (0.47) CTSLCTSBCTSKCA1CA2
Hydrochloric Acid SCHEMBL5570438 0.69 TTPA (0.32)
SCHEMBL28414218 0.66 CA1 (0.44) CTSLCTSBCTSKCA1CA2
SCHEMBL10829199 0.64 CTSL (0.45) CTSL
SCHEMBL28507462 0.63 JAK3 (0.32) CTSK
SCHEMBL11602026 0.63 CA1 (0.47) CTSLCTSBCTSKCA1CA2
SCHEMBL7385030 0.62 CTSK (0.44) CTSLCTSBCTSKHRH2HRH1

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 CTSL 143/4885CTSB 114/4885CTSK 250/4885

“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.