SCHEMBL17349763

SCHEMBL17349763

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

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 2/20 0.34
▸ MTNR1A P48039 2/20 0.34
▸ MTNR1B P49286 2/20 0.34
▸ TRPA1 O75762 2/20 0.32
▸ CA12 O43570 1/20 0.32
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ CA7 P43166 1/20 0.32
▸ CA9 Q16790 1/20 0.32
▸ CA14 Q9ULX7 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ DRD3 P35462 1/20 0.32
▸ MAPT P10636 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
SCHEMBL17349983 0.96 NAMPT (0.36) NAMPTMTNR1AMTNR1BCA12CA1
SCHEMBL17337311 0.94 MTNR1A (0.39) NAMPTMTNR1AMTNR1BALDH1A1
SCHEMBL17337315 0.94 MTNR1A (0.39) NAMPTMTNR1AMTNR1BALDH1A1
SCHEMBL23130274 0.93 MAPT (0.31) MTNR1AMTNR1BMAPT
SCHEMBL17347699 0.93 MAPT (0.31) MTNR1AMTNR1BMAPT
SCHEMBL17349750 0.91 PRKCB (0.33) NAMPTMTNR1AMTNR1BTRPA1CA12
SCHEMBL18966848 0.91 MTNR1A (0.33) NAMPTMTNR1AMTNR1BTRPA1CA12
SCHEMBL17337319 0.91 PRKCB (0.31) MTNR1AMTNR1B
SCHEMBL17337326 0.91 PRKCB (0.31) MTNR1AMTNR1B
SCHEMBL17349754 0.91 TSHR (0.36) NAMPTMTNR1AMTNR1BTRPA1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150361107-A1 ORALLY BIOAVAILABLE BETA-LACTAMASE INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-12-17 — — 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 (1 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-20150361107-A1 ORALLY BIOAVAILABLE BETA-LACTAMASE INHIBITORS SI, ALPI, GAA NAMPT 808/4885MTNR1A 2659/4885MTNR1B 2461/4885

“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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