SCHEMBL16843258

SCHEMBL16843258

COC(=O)[C@@H](NC(=O)c1ccc(C#CC#C[C@@H]2C[C@H]2C)cc1)C(C)(C)NC(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ P2RY6 Q15077 1/20 0.31
▸ MMP13 P45452 1/20 0.31
▸ ACACB O00763 1/20 0.30
▸ PTPN11 Q06124 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ L3MBTL1 Q9Y468 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
SCHEMBL16820847 0.90 — —
SCHEMBL13738781 0.90 ACACB (0.30) ACACB
SCHEMBL16820776 0.90 — —
SCHEMBL16820777 0.90 — —
SCHEMBL16820846 0.90 — —
SCHEMBL16921517 0.90 ALDH1A1 (0.31) MMP13ACACBL3MBTL1
SCHEMBL16840400 0.90 — —
SCHEMBL13738780 0.90 ACACB (0.30) ACACB
SCHEMBL16840399 0.90 ACACB (0.30) ACACB
SCHEMBL13740661 0.90 ACACB (0.30) ACACB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150175530-A1 ANTIBACTERIAL AGENTS ACHAOGEN, INC. 2015-06-25 — — 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-20150175530-A1 ANTIBACTERIAL AGENTS MRPL21, ABCB11, LSS P2RY6 3305/4885MMP13 2015/4885ACACB 3647/4885

“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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