SCHEMBL15727268

SCHEMBL15727268

CN[C@@H]1C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)OC)COCCCCc2cc1ccc2OC

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TERF2 Q15554 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ SLC6A2 P23975 1/20 0.30
▸ SLC6A4 P31645 1/20 0.30
▸ SLC6A3 Q01959 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
SCHEMBL23736377 0.90 — —
SCHEMBL15726434 0.87 PDE4B (0.35) ALDH1A1GAASLC6A2SLC6A4SLC6A3
SCHEMBL23736111 0.79 SLC6A2 (0.32) ALDH1A1GAASLC6A2SLC6A4SLC6A3
SCHEMBL16003117 0.75 SLC6A2 (0.33) ALDH1A1GAASLC6A2SLC6A4SLC6A3
SCHEMBL14234456 0.74 GAA (0.33) ALDH1A1GAASLC6A2SLC6A4SLC6A3
SCHEMBL17282907 0.74 GAA (0.33) ALDH1A1GAASLC6A2SLC6A4SLC6A3
SCHEMBL14234967 0.74 GAA (0.33) ALDH1A1GAASLC6A2SLC6A4SLC6A3
SCHEMBL23736118 0.74 PDE4B (0.33) ALDH1A1GAA
SCHEMBL15727251 0.71 CTSD (0.33) TERF2
SCHEMBL14235320 0.69 RXRA (0.33) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9309285-B2 Macrocyclic broad spectrum antibiotics RQX PHARMACEUTICALS, INC. (US) 2016-04-12 — — US disclosed
US-20140142029-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS, INC. (US) 2014-05-22 — — 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-20140142029-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS MRPL21, PEPD, CTSC TERF2 3508/4885ALDH1A1 2364/4885GAA 978/4885

“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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