SCHEMBL18966633

SCHEMBL18966633

CCOC(=O)c1cccc2c1OB(O)[C@@H](NC(=O)CCC(C)(F)F)C2

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.34
▸ TDP1 Q9NUW8 3/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ PDK2 Q15119 2/20 0.33
▸ NPSR1 Q6W5P4 2/20 0.33
▸ CNR2 P34972 1/20 0.33
▸ TP53 P04637 2/20 0.33
▸ HTT P42858 1/20 0.33
▸ PDK1 Q15118 1/20 0.33
▸ PDK3 Q15120 1/20 0.33
▸ PDK4 Q16654 1/20 0.33
▸ MAPT P10636 2/20 0.33
▸ CDC25B P30305 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ HSP90AA1 P07900 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
SCHEMBL18957100 0.93 TSHR (0.35) TSHRTDP1L3MBTL1MEN1KMT2A
SCHEMBL18957099 0.93 TSHR (0.35) TSHRTDP1L3MBTL1MEN1KMT2A
SCHEMBL18957104 0.93 TDP1 (0.30) TSHRTDP1L3MBTL1NPSR1
SCHEMBL18957105 0.93 TDP1 (0.30) TSHRTDP1L3MBTL1NPSR1
SCHEMBL18957112 0.91 TSHR (0.35) TSHRTDP1L3MBTL1MEN1KMT2A
SCHEMBL18957115 0.91 TSHR (0.35) TSHRTDP1L3MBTL1MEN1KMT2A
SCHEMBL18966662 0.91 EGFR (0.32) —
SCHEMBL18966651 0.91 TSHR (0.33) TSHRTDP1L3MBTL1MEN1KMT2A
SCHEMBL18966783 0.90 ALDH1A1 (0.31) TDP1NPSR1MAPTPOLB
SCHEMBL18966632 0.90 TSHR (0.40) TSHRTDP1L3MBTL1MEN1KMT2A

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 TSHR 4759/4885TDP1 1647/4885L3MBTL1 89/4885

“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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