SCHEMBL18957183

SCHEMBL18957183

CCC(=O)NC1Cc2cccc(C(=O)OCOC(=O)CCC(F)(F)F)c2OB1O

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 1/20 0.32
▸ MTNR1A P48039 2/20 0.32
▸ MTNR1B P49286 2/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL18957181 1.00 NAMPT (0.32) NAMPTMTNR1AMTNR1BCYP1A2MAPT
SCHEMBL18966537 0.95 NAMPT (0.34) NAMPT
SCHEMBL18966855 0.94 MTNR1A (0.34) NAMPTMTNR1AMTNR1BTDP1L3MBTL1
SCHEMBL18966645 0.92 NAMPT (0.32) NAMPT
SCHEMBL18966545 0.92 NAMPT (0.33) NAMPT
SCHEMBL18957292 0.92 MTNR1A (0.33) MTNR1AMTNR1BCYP1A2MAPTCYP2C9
SCHEMBL18957290 0.92 MTNR1A (0.33) MTNR1AMTNR1BCYP1A2MAPTCYP2C9
SCHEMBL18966535 0.91 NAMPT (0.33) NAMPT
SCHEMBL18966672 0.91 NAMPT (0.32) NAMPT
SCHEMBL18966611 0.91 NAMPT (0.32) NAMPT

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 4 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-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 NAMPT 1369/4885MTNR1A 3641/4885MTNR1B 3337/4885
US-20180291039-A1 BETA-LACTAMASE INHIBITORS MGAM, GAA, LCT NAMPT 1369/4885MTNR1A 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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