SCHEMBL18966808

SCHEMBL18966808

CCOC(=O)OCOC(=O)c1cccc2c1OB(O)[C@@H](NC(=O)CC)C2

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 2/20 0.34
▸ MTNR1B P49286 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ TSHR P16473 2/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.31
▸ CNR2 P34972 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ CDC25B P30305 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ SMN1; SMN2 Q16637 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
SCHEMBL17337369 0.92 TSHR (0.40) MTNR1AMTNR1BMAPTCYP1A2CYP2C9
SCHEMBL17337367 0.92 TSHR (0.40) MTNR1AMTNR1BMAPTCYP1A2CYP2C9
SCHEMBL18957196 0.92 MTNR1A (0.36) MTNR1AMTNR1BMAPTCYP1A2CYP2C9
SCHEMBL18957194 0.92 MTNR1A (0.36) MTNR1AMTNR1BMAPTCYP1A2CYP2C9
SCHEMBL23129965 0.91 TSHR (0.37) MTNR1AMTNR1BMAPTCYP1A2CYP2C9
SCHEMBL17347706 0.91 TSHR (0.37) MTNR1AMTNR1BMAPTCYP1A2CYP2C9
SCHEMBL22667427 0.91 TSHR (0.32) MAPTTSHRNPSR1L3MBTL1
SCHEMBL17337356 0.90 MTNR1A (0.37) MTNR1AMTNR1BMAPTCYP1A2CYP2C9
SCHEMBL17337359 0.90 MTNR1A (0.37) MTNR1AMTNR1BMAPTCYP1A2CYP2C9
SCHEMBL18966539 0.90 TSHR (0.31) MAPTTSHRNPSR1L3MBTL1TDP1

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-10464952-B2 Beta-lactamase inhibitors VenatoRx Pharmaceuticals, Inc. (US) 2019-11-05 — — 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 (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-10464952-B2 Beta-lactamase inhibitors MGAM, GAA, LCT MTNR1A 3641/4885MTNR1B 3337/4885MAPT 4167/4885

“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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