SCHEMBL22667381

SCHEMBL22667381

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 6/20 0.41
▸ MTNR1B P49286 6/20 0.41
▸ MEN1 O00255 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ THRA P10827 1/20 0.34
▸ THRB P10828 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ CA12 O43570 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA7 P43166 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ CA14 Q9ULX7 1/20 0.33
▸ HTR1A P08908 2/20 0.32
▸ NAMPT P43490 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ DRD2 P14416 1/20 0.32
▸ HTR2A P28223 1/20 0.32
▸ DRD3 P35462 1/20 0.32

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
SCHEMBL23837376 0.90 SMYD3 (0.34) MTNR1AMTNR1BMAPT
SCHEMBL19663642 0.88 MAPT (0.34) MTNR1AMTNR1BMAPT
SCHEMBL18797961 0.87 — —
SCHEMBL19228024 0.87 — —
SCHEMBL19663651 0.87 MTNR1A (0.32) MTNR1AMTNR1B
SCHEMBL18797980 0.87 NAMPT (0.35) NAMPTMAPTDRD2HTR2ADRD3
SCHEMBL23130007 0.86 AAK1 (0.32) MTNR1AMTNR1BMAPT
SCHEMBL19228048 0.86 — —
SCHEMBL22667458 0.86 MAPT (0.33) MAPT
SCHEMBL19662925 0.85 DHODH (0.30) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11008346-B2 Beta-lactamase inhibitors VenatoRx Pharmaceuticals, Inc. (US) 2021-05-18 — — US 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

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-11008346-B2 Beta-lactamase inhibitors MGAM, GAA, LCT MTNR1A 3641/4885MTNR1B 3337/4885MEN1 4336/4885
US-20200361962-A1 BETA-LACTAMASE INHIBITORS MGAM, GAA, LCT MTNR1A 3641/4885MTNR1B 3337/4885MEN1 4336/4885

“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.

Send feedback