SCHEMBL18797959

SCHEMBL18797959

NCCC(=O)NC1Cc2cccc(C(=O)O)c2OB1O

nearest known ligand 0.70

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SMYD3 Q9H7B4 10/20 0.39
▸ PARP1 P09874 3/20 0.34
▸ MAPT P10636 1/20 0.33
▸ HMGB1 P09429 1/20 0.32
▸ CAT P04040 1/20 0.32
▸ MTNR1A P48039 1/20 0.31
▸ MTNR1B P49286 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
SCHEMBL18797957 0.94 MAPT (0.36) SMYD3PARP1MAPTHMGB1CAT
SCHEMBL18797960 0.92 PARP1 (0.35) SMYD3PARP1HMGB1CAT
SCHEMBL17337372 0.91 PARP1 (0.36) SMYD3PARP1MAPTMTNR1AMTNR1B
SCHEMBL17337112 0.91 PARP1 (0.36) SMYD3PARP1MAPTMTNR1AMTNR1B
SCHEMBL17337118 0.90 MTNR1A (0.42) PARP1MTNR1AMTNR1B
SCHEMBL17337121 0.90 MTNR1A (0.42) PARP1MTNR1AMTNR1B
SCHEMBL17337409 0.89 KMT2A (0.34) PARP1MAPTMTNR1AMTNR1B
SCHEMBL17337131 0.89 PARP1 (0.33) PARP1MAPTMTNR1AMTNR1B
SCHEMBL17337126 0.89 PARP1 (0.33) PARP1MAPTMTNR1AMTNR1B
SCHEMBL17337412 0.89 KMT2A (0.34) PARP1MAPTMTNR1AMTNR1B

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 6 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-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
US-9783555-B2 Beta-lactamase inhibitors VenatoRx Pharmaceuticals, Inc. (US) 2017-10-10 — — US disclosed
US-9637504-B2 Beta-lactamase inhibitors VenatoRx Pharmaceuticals, Inc. (US) 2017-05-02 — — 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 SMYD3 926/4885PARP1 589/4885MAPT 4167/4885
US-20170342092-A1 BETA-LACTAMASE INHIBITORS MGAM, GAA, LCT SMYD3 926/4885PARP1 589/4885MAPT 4167/4885
US-20200361962-A1 BETA-LACTAMASE INHIBITORS MGAM, GAA, LCT SMYD3 926/4885PARP1 589/4885MAPT 4167/4885

“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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