SCHEMBL17347790

SCHEMBL17347790

COc1ccc2c(c1C(=O)O)OB(O)[C@@H](NC(C)=O)C2

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 1/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ CA7 P43166 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ CA14 Q9ULX7 1/20 0.37
▸ MTNR1A P48039 8/20 0.37
▸ MTNR1B P49286 7/20 0.37
▸ PDE4A P27815 1/20 0.32
▸ PDE4B Q07343 1/20 0.32
▸ PDE4C Q08493 1/20 0.32
▸ PDE4D Q08499 1/20 0.32
▸ CAT P04040 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32

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
SCHEMBL23129678 1.00 CA12 (0.37) CA12CA1CA2CA7CA9
SCHEMBL19228049 0.88 L3MBTL1 (0.34) MTNR1AMTNR1B
SCHEMBL17347817 0.88 CYP1A2 (0.37) MTNR1AMTNR1BKMT2A
SCHEMBL23130026 0.88 CYP1A2 (0.37) MTNR1AMTNR1BKMT2A
SCHEMBL23130216 0.87 MTNR1A (0.40) CA12CA1CA2CA7CA9
SCHEMBL17347651 0.87 MTNR1A (0.40) CA12CA1CA2CA7CA9
SCHEMBL23130229 0.87 KDM4E (0.33) CA12CA1CA2CA7CA9
SCHEMBL17347770 0.87 KDM4E (0.33) CA12CA1CA2CA7CA9
SCHEMBL17286499 0.85 CA12 (0.33) CA12CA1CA2CA7CA9
SCHEMBL23129929 0.85 MTNR1B (0.42) CA12CA1CA2CA7CA9

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 10 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
EP-3154989-B1 BETA-LACTAMASE INHIBITORS VENATORX PHARMACEUTICALS INC (US) 2021-03-24 — — EP 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-20170226135-A1 BETA-LACTAMASE INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-08-10 — — 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
WO-2015191907-A1 BETA-LACTAMASE INHIBITORS VenatoRx Pharmaceuticals, Inc. (US) 2015-12-17 — — 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 (5 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 CA12 2857/4885CA1 2554/4885CA2 1659/4885
US-20170342092-A1 BETA-LACTAMASE INHIBITORS MGAM, GAA, LCT CA12 2857/4885CA1 2554/4885CA2 1659/4885
US-20200361962-A1 BETA-LACTAMASE INHIBITORS MGAM, GAA, LCT CA12 2857/4885CA1 2554/4885CA2 1659/4885
US-20170226135-A1 BETA-LACTAMASE INHIBITORS MGAM, GAA, LCT CA12 2857/4885CA1 2554/4885CA2 1659/4885
US-20160264598-A1 BETA-LACTAMASE INHIBITORS MGAM, GAA, LCT CA12 2857/4885CA1 2554/4885CA2 1659/4885

“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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