SCHEMBL5566747

SCHEMBL5566747

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

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 7/20 0.40
FKBP1A P62942 4/20 0.39
F2 P00734 1/20 0.35
ACE P12821 3/20 0.35
GAA P10253 1/20 0.35
SPHK2 Q9NRA0 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SPHK1 Q9NYA1 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
SCHEMBL5566752 0.83 FKBP1A (0.39) TMEM97FKBP1A
SCHEMBL14600172 0.83 TMEM97 (0.39) TMEM97FKBP1AACE
SCHEMBL13396941 0.81 FKBP1A (0.46) FKBP1AF2
SCHEMBL16124728 0.80 FKBP1A (0.44) FKBP1AF2ACEMEN1KMT2A
SCHEMBL13396334 0.79 KLK7 (0.48) TMEM97FKBP1AGAAMEN1KMT2A
SCHEMBL14600158 0.79 TMEM97 (0.37) TMEM97FKBP1AACE
SCHEMBL14600154 0.78 TMEM97 (0.38) TMEM97FKBP1AACESPHK2SPHK1
SCHEMBL14600159 0.78 TMEM97 (0.39) TMEM97FKBP1AACE
SCHEMBL14600149 0.76 FKBP1A (0.38) TMEM97FKBP1AACESPHK2MEN1
SCHEMBL14600129 0.76 TMEM97 (0.36) TMEM97FKBP1AACE

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 TMEM97 4399/4885FKBP1A 366/4885F2 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.