SCHEMBL17347663

SCHEMBL17347663

CCCC(=O)N[C@H]1Cc2ccc(O)c(C(=O)O)c2OB1O

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 3/20 0.38
▸ CA1 P00915 3/20 0.38
▸ CA2 P00918 3/20 0.38
▸ CA7 P43166 3/20 0.38
▸ CA9 Q16790 3/20 0.38
▸ CA14 Q9ULX7 3/20 0.38
▸ MTNR1A P48039 2/20 0.36
▸ MTNR1B P49286 2/20 0.36
▸ OPRD1 P41143 9/20 0.35
▸ OPRM1 P35372 8/20 0.35
▸ OPRK1 P41145 8/20 0.35

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
SCHEMBL23129930 1.00 CA12 (0.38) CA12CA1CA2CA7CA9
SCHEMBL17347824 0.91 CA12 (0.36) CA12CA1CA2CA7CA9
SCHEMBL17347766 0.90 OPRD1 (0.35) OPRD1OPRM1OPRK1
SCHEMBL23129679 0.90 OPRD1 (0.35) OPRD1OPRM1OPRK1
SCHEMBL23837506 0.89 CA12 (0.36) CA12CA1CA2CA7CA9
SCHEMBL23130037 0.88 CA12 (0.39) CA12CA1CA2CA7CA9
SCHEMBL17347836 0.88 CA12 (0.39) CA12CA1CA2CA7CA9
SCHEMBL17347656 0.88 MTNR1A (0.36) CA12CA1CA2CA7CA9
SCHEMBL23130232 0.88 MTNR1A (0.36) CA12CA1CA2CA7CA9
SCHEMBL17347652 0.88 CAT (0.44) 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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