SCHEMBL17347817

SCHEMBL17347817

CCOC(=O)c1c(OC)ccc2c1OB(O)[C@@H](NC(C)=O)C2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.37
▸ CYP3A4 P08684 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ LMNA P02545 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ PRKCZ Q05513 1/20 0.36
▸ ALDH1A1 P00352 4/20 0.35
▸ HTT P42858 3/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ CRHBP P24387 1/20 0.35
▸ CRHR2 Q13324 1/20 0.35
▸ CDC25B P30305 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ GAA P10253 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ MTNR1A P48039 2/20 0.34

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
SCHEMBL23130026 1.00 CYP1A2 (0.37) CYP1A2CYP3A4KDM4ECYP2C9LMNA
SCHEMBL19228049 0.92 L3MBTL1 (0.34) L3MBTL1MTNR1AMTNR1B
SCHEMBL17347782 0.91 CYP1A2 (0.38) CYP1A2CYP3A4CYP2C9LMNASMN1; SMN2
SCHEMBL23130025 0.91 CYP1A2 (0.38) CYP1A2CYP3A4CYP2C9LMNASMN1; SMN2
SCHEMBL17347752 0.89 MTNR1A (0.40) CYP1A2CYP3A4LMNASMN1; SMN2CYP2D6
SCHEMBL23130172 0.89 MTNR1A (0.40) CYP1A2CYP3A4LMNASMN1; SMN2CYP2D6
SCHEMBL19663625 0.88 PRKCZ (0.35) SMN1; SMN2PRKCZALDH1A1MAPTKMT2A
SCHEMBL23129678 0.88 CA12 (0.37) KMT2AMTNR1AMTNR1B
SCHEMBL17347790 0.88 CA12 (0.37) KMT2AMTNR1AMTNR1B
SCHEMBL17347776 0.87 CA12 (0.42) CYP3A4LMNASMN1; SMN2PRKCZALDH1A1

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 CYP1A2 510/4885CYP3A4 921/4885KDM4E 720/4885
US-20170342092-A1 BETA-LACTAMASE INHIBITORS MGAM, GAA, LCT CYP1A2 510/4885CYP3A4 921/4885KDM4E 720/4885
US-20200361962-A1 BETA-LACTAMASE INHIBITORS MGAM, GAA, LCT CYP1A2 510/4885CYP3A4 921/4885KDM4E 720/4885
US-20170226135-A1 BETA-LACTAMASE INHIBITORS MGAM, GAA, LCT CYP1A2 510/4885CYP3A4 921/4885KDM4E 720/4885
US-20160264598-A1 BETA-LACTAMASE INHIBITORS MGAM, GAA, LCT CYP1A2 510/4885CYP3A4 921/4885KDM4E 720/4885

“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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