SCHEMBL19662925

SCHEMBL19662925

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

nearest known ligand 0.44

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 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
SCHEMBL23837376 0.88 SMYD3 (0.34) —
SCHEMBL22667381 0.85 MTNR1A (0.41) —
SCHEMBL17336991 0.84 PARP1 (0.34) DHODHL3MBTL1
SCHEMBL17336990 0.84 PARP1 (0.34) DHODHL3MBTL1
SCHEMBL18797980 0.83 NAMPT (0.35) —
SCHEMBL23130007 0.82 AAK1 (0.32) —
SCHEMBL19663642 0.82 MAPT (0.34) —
SCHEMBL19228009 0.82 DRD2 (0.33) —
SCHEMBL19228027 0.82 AAK1 (0.34) —
SCHEMBL19228053 0.82 L3MBTL1 (0.32) L3MBTL1

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-9926336-B2 Beta-lactamase inhibitors VENATORX PHARMACEUTICALS (US) 2018-03-27 — — US disclosed
US-20170342092-A1 BETA-LACTAMASE INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-11-30 — — 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-20170342092-A1 BETA-LACTAMASE INHIBITORS MGAM, GAA, LCT DHODH 762/4885L3MBTL1 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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