SCHEMBL17347770

SCHEMBL17347770

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

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.33
▸ MTNR1A P48039 1/20 0.33
▸ MTNR1B P49286 1/20 0.33
▸ CA12 O43570 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA7 P43166 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ CA14 Q9ULX7 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ HDAC3 O15379 1/20 0.31
▸ HDAC1 Q13547 1/20 0.31
▸ HDAC6 Q9UBN7 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ KMT2A Q03164 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
SCHEMBL23130229 1.00 KDM4E (0.33) KDM4EMTNR1AMTNR1BCA12CA1
SCHEMBL23129929 0.91 MTNR1B (0.42) MTNR1AMTNR1BCA12CA1CA2
SCHEMBL17347661 0.91 MTNR1B (0.42) MTNR1AMTNR1BCA12CA1CA2
SCHEMBL23130216 0.88 MTNR1A (0.40) MTNR1AMTNR1BCA12CA1CA2
SCHEMBL17347651 0.88 MTNR1A (0.40) MTNR1AMTNR1BCA12CA1CA2
SCHEMBL18683566 0.88 MTNR1A (0.32) KDM4EMTNR1AMTNR1BCA12CA1
SCHEMBL23129679 0.87 OPRD1 (0.35) —
SCHEMBL17347766 0.87 OPRD1 (0.35) —
SCHEMBL17347790 0.87 CA12 (0.37) MTNR1AMTNR1BCA12CA1CA2
SCHEMBL23129678 0.87 CA12 (0.37) MTNR1AMTNR1BCA12CA1CA2

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3882252-A1 BETA-LACTAMASE INHIBITORS Venatorx Pharmaceuticals, Inc. (US) 2021-09-22 — — EP disclosed
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 KDM4E 720/4885MTNR1A 3641/4885MTNR1B 3337/4885
US-20170342092-A1 BETA-LACTAMASE INHIBITORS MGAM, GAA, LCT KDM4E 720/4885MTNR1A 3641/4885MTNR1B 3337/4885
US-20200361962-A1 BETA-LACTAMASE INHIBITORS MGAM, GAA, LCT KDM4E 720/4885MTNR1A 3641/4885MTNR1B 3337/4885
US-20170226135-A1 BETA-LACTAMASE INHIBITORS MGAM, GAA, LCT KDM4E 720/4885MTNR1A 3641/4885MTNR1B 3337/4885
US-20160264598-A1 BETA-LACTAMASE INHIBITORS MGAM, GAA, LCT KDM4E 720/4885MTNR1A 3641/4885MTNR1B 3337/4885

“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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