SCHEMBL22667379

SCHEMBL22667379

COCCOCC(=O)N[C@H]1Cc2cccc(C(O)O)c2OB1O

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 7/20 0.39
▸ NPC1 O15118 1/20 0.32
▸ SCN9A Q15858 1/20 0.31
▸ ALDH1A1 P00352 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
SCHEMBL17347759 0.87 NAMPT (0.41) NAMPTNPC1ALDH1A1
SCHEMBL17337354 0.85 NAMPT (0.42) NAMPTNPC1ALDH1A1
SCHEMBL17337351 0.85 NAMPT (0.42) NAMPTNPC1ALDH1A1
SCHEMBL19663651 0.82 MTNR1A (0.32) —
SCHEMBL22667381 0.81 MTNR1A (0.41) NAMPTALDH1A1
SCHEMBL23837376 0.80 SMYD3 (0.34) —
SCHEMBL23837287 0.80 MTNR1A (0.35) —
SCHEMBL23837279 0.80 MTNR1A (0.33) —
SCHEMBL18797977 0.79 — —
SCHEMBL20053172 0.79 ITGB3 (0.33) —

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-11008346-B2 Beta-lactamase inhibitors VenatoRx Pharmaceuticals, Inc. (US) 2021-05-18 — — US disclosed
US-20200361962-A1 BETA-LACTAMASE INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2020-11-19 — — 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 (2 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-11008346-B2 Beta-lactamase inhibitors MGAM, GAA, LCT NAMPT 1369/4885NPC1 4491/4885SCN9A 1985/4885
US-20200361962-A1 BETA-LACTAMASE INHIBITORS MGAM, GAA, LCT NAMPT 1369/4885NPC1 4491/4885SCN9A 1985/4885

“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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