SCHEMBL18966540

SCHEMBL18966540

CCCCOC(=O)OCOC(=O)c1cccc2c1OB(O)[C@@H](NC(=O)CC(F)(F)F)C2

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 4/20 0.34
▸ TDP1 Q9NUW8 2/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ TRPA1 O75762 2/20 0.33
▸ ALDH1A1 P00352 3/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ CYP3A4 P08684 2/20 0.32
▸ MAPK1 P28482 2/20 0.32
▸ TP53 P04637 1/20 0.32
▸ LMNA P02545 1/20 0.31
▸ NOD2 Q9HC29 1/20 0.31
▸ NOD1 Q9Y239 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
SCHEMBL18957357 0.94 TSHR (0.34) TSHRTDP1L3MBTL1TRPA1ALDH1A1
SCHEMBL18957356 0.94 TSHR (0.34) TSHRTDP1L3MBTL1TRPA1ALDH1A1
SCHEMBL18957028 0.93 TSHR (0.34) TSHRTDP1L3MBTL1TRPA1ALDH1A1
SCHEMBL18957029 0.93 TSHR (0.34) TSHRTDP1L3MBTL1TRPA1ALDH1A1
SCHEMBL18966539 0.92 TSHR (0.31) TSHRTDP1L3MBTL1
SCHEMBL18957221 0.91 TRPA1 (0.33) TSHRTDP1L3MBTL1TRPA1ALDH1A1
SCHEMBL18957222 0.91 TRPA1 (0.33) TSHRTDP1L3MBTL1TRPA1ALDH1A1
SCHEMBL23129965 0.91 TSHR (0.37) TSHRTDP1L3MBTL1TRPA1ALDH1A1
SCHEMBL17347706 0.91 TSHR (0.37) TSHRTDP1L3MBTL1TRPA1ALDH1A1
SCHEMBL18957413 0.90 TSHR (0.33) TSHRTDP1L3MBTL1TRPA1ALDH1A1

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-10464952-B2 Beta-lactamase inhibitors VenatoRx Pharmaceuticals, Inc. (US) 2019-11-05 — — US disclosed
WO-2017100537-A1 BETA-LACTAMASE INHIBITORS VenatoRx Pharmaceuticals, Inc. (US) 2017-06-15 — — 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-10464952-B2 Beta-lactamase inhibitors MGAM, GAA, LCT TSHR 4759/4885TDP1 1647/4885L3MBTL1 89/4885

“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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