SCHEMBL18072136

SCHEMBL18072136

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

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 2/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SMYD3 Q9H7B4 1/20 0.31
▸ ALDH1A1 P00352 3/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ PARP1 P09874 3/20 0.31
▸ MEP1B Q16820 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
SCHEMBL17337133 0.90 RAB9A (0.35) RAB9AALDH1A1SMN1; SMN2MEN1HTT
SCHEMBL17337541 0.90 RAB9A (0.35) RAB9AALDH1A1SMN1; SMN2MEN1HTT
SCHEMBL17336943 0.88 PARP1 (0.32) RAB9ASMYD3PARP1
SCHEMBL17337046 0.88 PARP1 (0.32) RAB9ASMYD3PARP1
SCHEMBL23129903 0.87 L3MBTL1 (0.32) RAB9A
SCHEMBL17337333 0.87 L3MBTL1 (0.32) RAB9A
SCHEMBL18797959 0.86 SMYD3 (0.39) SMYD3PARP1
SCHEMBL17337288 0.86 AAK1 (0.36) PARP1
SCHEMBL17337083 0.86 AAK1 (0.36) PARP1
SCHEMBL17336990 0.86 PARP1 (0.34) RAB9ASMYD3PARP1

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 4 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
US-9637504-B2 Beta-lactamase inhibitors VenatoRx Pharmaceuticals, Inc. (US) 2017-05-02 — — US disclosed
US-20160264598-A1 BETA-LACTAMASE INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-09-15 — — 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 (3 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 HDAC6 2734/4885RAB9A 1933/4885SMYD3 926/4885
US-20200361962-A1 BETA-LACTAMASE INHIBITORS MGAM, GAA, LCT HDAC6 2734/4885RAB9A 1933/4885SMYD3 926/4885
US-20160264598-A1 BETA-LACTAMASE INHIBITORS MGAM, GAA, LCT HDAC6 2734/4885RAB9A 1933/4885SMYD3 926/4885

“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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