SCHEMBL18957322

SCHEMBL18957322

CC(F)C(=O)N[C@H]1Cc2cccc(C(=O)O)c2OB1O

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 3/20 0.34
▸ GRM7 Q14831 3/20 0.34
▸ MTNR1A P48039 1/20 0.32
▸ MTNR1B P49286 1/20 0.32
▸ CAT P04040 1/20 0.31
▸ XIAP P98170 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
SCHEMBL23837282 0.89 PARP1 (0.32) PARP1GRM7
SCHEMBL17337147 0.85 — —
SCHEMBL17337145 0.85 — —
SCHEMBL17337146 0.85 — —
SCHEMBL17337357 0.84 PARP1 (0.37) PARP1MTNR1AMTNR1BCAT
SCHEMBL17337290 0.84 PARP1 (0.37) PARP1MTNR1AMTNR1BCAT
SCHEMBL18827396 0.84 PARP1 (0.36) PARP1CAT
SCHEMBL18683713 0.84 PARP1 (0.36) PARP1CAT
SCHEMBL17347389 0.83 PARP1 (0.36) PARP1MTNR1AMTNR1BCAT
SCHEMBL23129914 0.83 PARP1 (0.36) PARP1MTNR1AMTNR1BCAT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10464952-B2 Beta-lactamase inhibitors VenatoRx Pharmaceuticals, Inc. (US) 2019-11-05 — — US disclosed
US-10464952-B2 Beta-lactamase inhibitors VenatoRx Pharmaceuticals, Inc. (US) 2019-11-05 — — US disclosed
US-20180291039-A1 BETA-LACTAMASE INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-10-11 — — US disclosed
WO-2017100537-A1 BETA-LACTAMASE INHIBITORS VenatoRx Pharmaceuticals, Inc. (US) 2017-06-15 — — WO disclosed
WO-2017100537-A1 BETA-LACTAMASE INHIBITORS VenatoRx Pharmaceuticals, Inc. (US) 2017-06-15 — — 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 (2 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-10464952-B2 Beta-lactamase inhibitors MGAM, GAA, LCT PARP1 589/4885GRM7 4725/4885MTNR1A 3641/4885
US-20180291039-A1 BETA-LACTAMASE INHIBITORS MGAM, GAA, LCT PARP1 589/4885GRM7 4725/4885MTNR1A 3641/4885

“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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