SCHEMBL18957239

SCHEMBL18957239

CC(F)(F)CCC(=O)NC1Cc2cccc(C(=O)OCOC(=O)c3ccccc3)c2OB1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRB1 P08588 2/20 0.32
▸ ADRB2 P07550 1/20 0.32
▸ ADRB3 P13945 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ CES2 O00748 1/20 0.31
▸ HTR1A P08908 2/20 0.30
▸ SLC6A3 Q01959 2/20 0.30
▸ USP2 O75604 2/20 0.30
▸ CYP3A4 P08684 2/20 0.30
▸ CYP2D6 P10635 2/20 0.30
▸ NR1I2 O75469 1/20 0.30
▸ ADRA2A P08913 1/20 0.30
▸ ADORA3 P0DMS8 1/20 0.30
▸ ADRA2B P18089 1/20 0.30
▸ ADRA2C P18825 1/20 0.30
▸ CHRM3 P20309 1/20 0.30
▸ SLC6A2 P23975 1/20 0.30
▸ HTR2A P28223 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
SCHEMBL18957238 1.00 ADRB1 (0.32) ADRB1ADRB2ADRB3MEN1KMT2A
SCHEMBL18957354 0.93 NAMPT (0.35) MEN1KMT2AATMHTR2ADRD3
SCHEMBL18957352 0.93 NAMPT (0.35) MEN1KMT2AATMHTR2ADRD3
SCHEMBL18957068 0.92 ADRB2 (0.32) ADRB1ADRB2ADRB3MEN1KMT2A
SCHEMBL18957064 0.92 ADRB2 (0.32) ADRB1ADRB2ADRB3MEN1KMT2A
SCHEMBL18957110 0.91 PRKCB (0.31) —
SCHEMBL18957224 0.91 PRKCB (0.34) —
SCHEMBL18957108 0.91 PRKCB (0.31) —
SCHEMBL18957225 0.91 PRKCB (0.34) —
SCHEMBL18957129 0.91 NAMPT (0.32) MEN1KMT2AATMMAPT

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 3 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

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 ADRB1 1077/4885ADRB2 1419/4885ADRB3 2470/4885
US-20180291039-A1 BETA-LACTAMASE INHIBITORS MGAM, GAA, LCT ADRB1 1077/4885ADRB2 1419/4885ADRB3 2470/4885

“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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