SCHEMBL17337403

SCHEMBL17337403

CC(C)(C)OC(=O)c1c(O)ccc(F)c1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.37
CES1 P23141 2/20 0.37
CA12 O43570 4/20 0.36
CA1 P00915 4/20 0.36
CA2 P00918 4/20 0.36
CA9 Q16790 4/20 0.36
CA14 Q9ULX7 4/20 0.36
CA7 P43166 3/20 0.36
GRM6 O15303 1/20 0.35
EGFR P00533 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
MIF P14174 1/20 0.34
RIPK1 Q13546 1/20 0.34
NR1H2 P55055 2/20 0.33
NR1H3 Q13133 2/20 0.33
RXRA P19793 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33

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
SCHEMBL29202783 0.87 CES2 (0.41) CES2CES1CA12CA1CA2
SCHEMBL6349586 0.83 CA12 (0.45) CA12CA1CA2CA9CA14
SCHEMBL6232092 0.83 CA12 (0.36) CA12CA1CA2CA9CA14
SCHEMBL30322424 0.81 CES2 (0.36) CES2CES1CA12CA1CA2
SCHEMBL26879383 0.81 CES2 (0.36) CES2CES1CA12CA1CA2
SCHEMBL31354768 0.81 CYP2C9 (0.35) CES2CES1CA12CA1CA2
SCHEMBL24436895 0.80 CA12 (0.59) CES2CES1CA12CA1CA2
SCHEMBL6233293 0.79 CA1 (0.37) CA12CA1CA2CA9CA14
SCHEMBL17374999 0.79 CA12 (0.48) CES2CES1CA12CA1CA2
SCHEMBL17336997 0.79 HSD17B1 (0.38) CA12CA1CA2CA9CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3882252-B1 BETA-LACTAMASE INHIBITORS VENATORX PHARMACEUTICALS INC (US) 2025-11-19 EP disclosed
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
EP-3154989-A1 BETA-LACTAMASE INHIBITORS Venatorx Pharmaceuticals, Inc. (US) 2017-04-19 EP 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 CES2 64/4885CES1 148/4885CA12 2857/4885
US-20170342092-A1 BETA-LACTAMASE INHIBITORS MGAM, GAA, LCT CES2 64/4885CES1 148/4885CA12 2857/4885
US-20200361962-A1 BETA-LACTAMASE INHIBITORS MGAM, GAA, LCT CES2 64/4885CES1 148/4885CA12 2857/4885
US-20170226135-A1 BETA-LACTAMASE INHIBITORS MGAM, GAA, LCT CES2 64/4885CES1 148/4885CA12 2857/4885
US-20160264598-A1 BETA-LACTAMASE INHIBITORS MGAM, GAA, LCT CES2 64/4885CES1 148/4885CA12 2857/4885

“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.