SCHEMBL5496422

SCHEMBL5496422

NCCCCC(NCC(Cc1ccccc1)C(=O)O)C(=O)N1CCCC1C(=O)O

nearest known ligand 0.69

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 6/20 0.69
▸ ACE2 Q9BYF1 1/20 0.58
▸ LTA4H P09960 5/20 0.56
▸ OPRK1 P41145 1/20 0.50

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
SCHEMBL5496416 0.90 ACE (0.56) ACEACE2LTA4H
SCHEMBL683834 0.86 ACE (0.84) ACEACE2LTA4H
SCHEMBL27890164 0.86 ACE (0.73) ACEACE2LTA4H
SCHEMBL27890165 0.86 ACE (0.73) ACEACE2LTA4H
SCHEMBL27890166 0.83 ACE (0.75) ACE
SCHEMBL17660482 0.83 ACE (0.75) ACE
SCHEMBL27890161 0.83 ACE (0.75) ACE
SCHEMBL683471 0.83 ACE (0.79) ACEACE2LTA4H
SCHEMBL7328861 0.83 ACE (0.72) ACEACE2LTA4HOPRK1
SCHEMBL31621499 0.83 ACE (0.64) ACEACE2OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6770621-B2 GLYCOPEPTIDE WITH TWO OR MORE CARBOXY GROUPS AT THE C-TERMINUS, NOT INCLUDING SPECIFIED TEICOPLANINS; TREATING BACTERIAL DISEASES THERAVANCE, INC. 2004-08-03 — — US claimed
US-20020055464-A1 Polyacid glycopeptide derivatives THERAVANCE BIOPHARMA ANTIBIOTICS IP, LLC 2002-05-09 — — US claimed
WO-2001083520-A2 POLYACID GLYCOPEPTIDE DERIVATIVES THERAVANCE,INC (US) 2001-11-08 — — WO claimed
US-7244705-B2 Polyacid glycopeptide derivatives THERAVANCE, INC. (US) 2007-07-17 — — US disclosed
US-20060194716-A1 Polyacid glycopeptide derivatives THERAVANCE BIOPHARMA ANTIBIOTICS IP, LLC 2006-08-31 — — US disclosed
US-7074760-B2 Polyacid glycopeptide derivatives THERAVANCE, INC. (US) 2006-07-11 — — US disclosed
US-20050164919-A1 Polyacid glycopeptide derivatives THERAVANCE BIOPHARMA ANTIBIOTICS IP, LLC 2005-07-28 — — US disclosed
US-6906031-B2 Polyacid glycopeptide derivatives THERAVANCE, INC. (US) 2005-06-14 — — US disclosed
US-20040229775-A1 Polyacid glycopeptide derivatives THERAVANCE BIOPHARMA ANTIBIOTICS IP, LLC 2004-11-18 — — US disclosed
US-6770621-B2 GLYCOPEPTIDE WITH TWO OR MORE CARBOXY GROUPS AT THE C-TERMINUS, NOT INCLUDING SPECIFIED TEICOPLANINS; TREATING BACTERIAL DISEASES THERAVANCE, INC. 2004-08-03 — — US disclosed
US-20020055464-A1 Polyacid glycopeptide derivatives THERAVANCE BIOPHARMA ANTIBIOTICS IP, LLC 2002-05-09 — — US disclosed
WO-2001083520-A2 POLYACID GLYCOPEPTIDE DERIVATIVES THERAVANCE,INC (US) 2001-11-08 — — 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 (4 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-20020055464-A1 Polyacid glycopeptide derivatives B3GAT3, GYPA, MGAT3 ACE 1761/4885ACE2 612/4885LTA4H 2497/4885
US-20040229775-A1 Polyacid glycopeptide derivatives B3GAT3, GYPA, MGAT3 ACE 1761/4885ACE2 612/4885LTA4H 2497/4885
US-20050164919-A1 Polyacid glycopeptide derivatives B3GAT3, NGLY1, DNPEP ACE 2005/4885ACE2 1250/4885LTA4H 876/4885
US-20060194716-A1 Polyacid glycopeptide derivatives B3GAT3, NGLY1, DNPEP ACE 2005/4885ACE2 1250/4885LTA4H 876/4885

“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.

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