SCHEMBL5495829

SCHEMBL5495829

CCOC(=O)[C@H]1CCCN1C(=O)CCCCC(=O)N1CCC[C@@H]1C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACE P12821 6/20 0.52
FKBP1A P62942 2/20 0.49
RAB9A P51151 1/20 0.48
ALDH1A1 P00352 3/20 0.45
REN P00797 1/20 0.45
MVD P53602 2/20 0.44
KDM4E B2RXH2 1/20 0.44
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HSD17B10 Q99714 1/20 0.44
ACE2 Q9BYF1 2/20 0.44

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
SCHEMBL5495836 1.00 ACE (0.52) ACEFKBP1ARAB9AALDH1A1REN
SCHEMBL6877311 1.00 ACE (0.52) ACEFKBP1ARAB9AALDH1A1REN
SCHEMBL5496862 0.94 FKBP1A (0.53) ACEFKBP1AALDH1A1KDM4EHPGD
SCHEMBL5496855 0.94 FKBP1A (0.53) ACEFKBP1AALDH1A1KDM4EHPGD
SCHEMBL6883997 0.94 FKBP1A (0.53) ACEFKBP1AALDH1A1KDM4EHPGD
SCHEMBL7048968 0.89 ACE (0.50) ACEFKBP1ARAB9ARENACE2
SCHEMBL8626274 0.86 FKBP1A (0.56) FKBP1AALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL11618236 0.86 ACE (0.55) ACERAB9AALDH1A1RENMVD
Miridesap SCHEMBL1537496 0.85 ACE (0.68) ACERENMVD
Miridesap SCHEMBL1685022 0.85 ACE (0.68) ACERENMVD

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1743884-A1 Progrugs to d-prolines F.HOFFMANN-LA ROCHE AG (CH) 2007-01-17 EP disclosed
US-6903129-B2 D-proline prodrugs HOFFMAN-LA ROCHE INC. (US) 2005-06-07 US disclosed
US-20030134891-A1 New D-proline prodrugs PENTRAXIN THERAPEUTICS LTD. (GB) 2003-07-17 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-20030134891-A1 New D-proline prodrugs PCNP, PREP, APP ACE 330/4885FKBP1A 203/4885RAB9A 3149/4885

“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.