SCHEMBL22034455

SCHEMBL22034455

CCCC(=O)OC[C@H]1OC(OC(=O)CCCBr)[C@H](OC(=O)CCC)[C@@H](OC(=O)CCC)[C@@H]1OC(=O)CCC

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.43
▸ TLR4 O00206 5/20 0.43
▸ CA2 P00918 9/20 0.40
▸ CA12 O43570 8/20 0.40
▸ CA1 P00915 8/20 0.40
▸ CA9 Q16790 8/20 0.40
▸ CA14 Q9ULX7 8/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ ANTXR2 P58335 2/20 0.36
▸ LY96 Q9Y6Y9 2/20 0.35

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
SCHEMBL20582014 0.92 MAPT (0.49) MAPTTLR4CA2CA12CA1
SCHEMBL16500346 0.92 MAPT (0.49) MAPTTLR4CA2CA12CA1
SCHEMBL3334421 0.92 MAPT (0.49) MAPTTLR4CA2CA12CA1
SCHEMBL13621251 0.92 MAPT (0.49) MAPTTLR4CA2CA12CA1
SCHEMBL16500298 0.92 MAPT (0.49) MAPTTLR4CA2CA12CA1
SCHEMBL3336043 0.92 MAPT (0.49) MAPTTLR4CA2CA12CA1
SCHEMBL19079629 0.91 MAPT (0.47) MAPTTLR4CA2CA12CA1
SCHEMBL22107783 0.88 MAPT (0.46) MAPTTLR4CA2CA12CA1
SCHEMBL22034448 0.88 MAPT (0.40) MAPTTLR4CA2CA12CA1
SCHEMBL5958120 0.87 TLR4 (0.53) MAPTTLR4LY96

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
US-20220041641-A1 QUATERNARY AMMONIUM SALTS AS INHIBITORS OF TRIMETHYLAMINE PRODUCTION SENDA BIOSCIENCES INC (US) 2022-02-10 — — US disclosed
EP-3891751-A1 QUATERNARY AMMONIUM SALTS AS INHIBITORS OF TRIMETHYLAMINE PRODUCTION Senda Biosciences, Inc. (US) 2021-10-13 — — EP disclosed
WO-2020118238-A1 QUATERNARY AMMONIUM SALTS AS INHIBITORS OF TRIMETHYLAMINE PRODUCTION KINTAI THERAPEUTICS, INC. (US) 2020-06-11 — — 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 (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-20220041641-A1 QUATERNARY AMMONIUM SALTS AS INHIBITORS OF TRIMETHYLAMINE PRODUCTION SLC10A2, SLC10A1, BCAT2 MAPT 136/4885TLR4 1722/4885CA2 284/4885

“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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