SCHEMBL5566752

SCHEMBL5566752

CC(=O)SC(C)CC(=O)N1CCC[C@H]1C(=O)Oc1cccc(CO[N+](=O)[O-])c1

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 3/20 0.39
TMEM97 Q5BJF2 3/20 0.37
KLK5 Q9Y337 1/20 0.35

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
SCHEMBL14600172 0.83 TMEM97 (0.39) FKBP1ATMEM97
SCHEMBL5566747 0.83 TMEM97 (0.40) FKBP1ATMEM97
SCHEMBL13396334 0.79 KLK7 (0.48) FKBP1ATMEM97
SCHEMBL14600154 0.78 TMEM97 (0.38) FKBP1ATMEM97
SCHEMBL14600149 0.78 FKBP1A (0.38) FKBP1ATMEM97
SCHEMBL14600158 0.77 TMEM97 (0.37) FKBP1ATMEM97
SCHEMBL14600159 0.76 TMEM97 (0.39) FKBP1ATMEM97
SCHEMBL14600164 0.76 ACE (0.37) FKBP1ATMEM97
SCHEMBL14600165 0.76 ACE (0.37) FKBP1ATMEM97
SCHEMBL5570677 0.75 FKBP1A (0.36) FKBP1A

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 FKBP1A 366/4885TMEM97 4399/4885KLK5 781/4885

“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.