SCHEMBL15727315

SCHEMBL15727315

COC(=O)[C@@H]1CCOCC=CCOC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(=O)N1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CTSD P07339 11/20 0.53
▸ BACE1 P56817 11/20 0.53
▸ GAA P10253 1/20 0.47
▸ NFKB1 P19838 1/20 0.34
▸ NFKB2 Q00653 1/20 0.34
▸ RELA Q04206 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
SCHEMBL15727180 0.92 CTSD (0.55) CTSDBACE1GAANFKB1NFKB2
SCHEMBL15727316 0.89 CTSD (0.53) CTSDBACE1GAA
SCHEMBL15727299 0.85 CTSD (0.53) CTSDBACE1GAA
SCHEMBL15750409 0.84 BACE1 (0.47) CTSDBACE1GAANFKB1NFKB2
SCHEMBL15727314 0.83 CTSD (0.55) CTSDBACE1GAA
SCHEMBL23736276 0.82 GAA (0.49) CTSDBACE1GAANFKB1NFKB2
SCHEMBL15750384 0.80 CTSD (0.47) CTSDBACE1GAA
SCHEMBL23736282 0.80 GAA (0.47) CTSDBACE1GAANFKB1NFKB2
SCHEMBL23736117 0.78 GAA (0.47) CTSDBACE1GAANFKB1NFKB2
SCHEMBL17884315 0.78 CTSD (0.49) CTSDBACE1GAA

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-2922829-B1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS INC (US) 2021-08-11 — — EP disclosed
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 CTSD 271/4885BACE1 44/4885GAA 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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