SCHEMBL18966629

SCHEMBL18966629

COC(=O)CCCCC(=O)OCOC(=O)c1cccc2c1OB(O)[C@@H](NC(=O)CCCC(F)(F)F)C2

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 1/20 0.31
▸ ESR1 P03372 1/20 0.30
▸ HDAC1 Q13547 1/20 0.30
▸ ESR2 Q92731 1/20 0.30
▸ HDAC6 Q9UBN7 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
SCHEMBL18966681 0.97 — —
SCHEMBL18966527 0.97 NAMPT (0.33) NAMPT
SCHEMBL18966680 0.93 NAMPT (0.32) NAMPT
SCHEMBL18966611 0.93 NAMPT (0.32) NAMPT
SCHEMBL21539512 0.93 NAMPT (0.32) NAMPT
SCHEMBL18966641 0.93 — —
SCHEMBL18966653 0.91 PRKCB (0.32) NAMPT
SCHEMBL18966678 0.91 NAMPT (0.30) NAMPT
SCHEMBL18957180 0.90 PRKCB (0.31) —
SCHEMBL18957179 0.90 PRKCB (0.31) —

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 NAMPT 1369/4885ESR1 1864/4885HDAC1 1540/4885

“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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