SCHEMBL18100458

SCHEMBL18100458

COC(=O)[C@@H](NC(=O)c1ccc2cc(C#C[C@H]3C[C@@H]3CO)ccc2c1)C(C)(C)NC(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ GABRB1 P18505 1/20 0.31
▸ GABRB2 P47870 1/20 0.31

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
SCHEMBL19102807 1.00 GABRB1 (0.31) GABRB1GABRB2
SCHEMBL17435522 1.00 GABRB1 (0.31) GABRB1GABRB2
SCHEMBL17451859 1.00 GABRB1 (0.31) GABRB1GABRB2
SCHEMBL17451858 0.94 GABRB1 (0.30) GABRB1GABRB2
SCHEMBL17453177 0.94 GABRB1 (0.30) GABRB1GABRB2
SCHEMBL13831038 0.92 ACACB (0.31) —
SCHEMBL13737835 0.89 CD274 (0.31) —
SCHEMBL13737833 0.89 CD274 (0.31) —
SCHEMBL13831022 0.89 CD274 (0.31) —
SCHEMBL19102805 0.86 PIN1 (0.32) —

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-9701622-B2 Antibacterial agents ACHAOGEN, INC. (US) 2017-07-11 — — US disclosed
US-20160280639-A1 ANTIBACTERIAL AGENTS ACHAOGEN, INC. 2016-09-29 — — 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-20160280639-A1 ANTIBACTERIAL AGENTS MRPL21, ABCB11, LSS GABRB1 2495/4885GABRB2 2769/4885

“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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