SCHEMBL18966634

SCHEMBL18966634

CC(F)(F)CCC(=O)N[C@H]1Cc2cccc(C(=O)OCc3ccccc3)c2OB1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.36
▸ BRD4 O60885 1/20 0.36
▸ CREBBP Q92793 1/20 0.36
▸ TDP1 Q9NUW8 2/20 0.35
▸ PDK1 Q15118 1/20 0.35
▸ PDK2 Q15119 1/20 0.35
▸ PDK3 Q15120 1/20 0.35
▸ PDK4 Q16654 1/20 0.35
▸ L3MBTL1 Q9Y468 3/20 0.35
▸ TSHR P16473 2/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ ACHE P22303 1/20 0.34
▸ RAB9A P51151 3/20 0.33
▸ GAA P10253 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ STAT1 P42224 1/20 0.33

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
SCHEMBL18957326 0.93 ALDH1A1 (0.37) ALDH1A1BRD4CREBBPTDP1L3MBTL1
SCHEMBL18957324 0.93 ALDH1A1 (0.37) ALDH1A1BRD4CREBBPTDP1L3MBTL1
SCHEMBL18957351 0.92 ALDH1A1 (0.37) ALDH1A1BRD4CREBBPTDP1PDK1
SCHEMBL18957353 0.92 ALDH1A1 (0.37) ALDH1A1BRD4CREBBPTDP1PDK1
SCHEMBL18966660 0.90 ALDH1A1 (0.35) ALDH1A1BRD4CREBBPTDP1L3MBTL1
SCHEMBL18966633 0.89 TSHR (0.34) TDP1PDK1PDK2PDK3PDK4
SCHEMBL18957239 0.89 ADRB1 (0.32) TDP1CYP3A4KMT2AMEN1
SCHEMBL18957238 0.89 ADRB1 (0.32) TDP1CYP3A4KMT2AMEN1
SCHEMBL18966902 0.88 ALDH1A1 (0.38) ALDH1A1BRD4CREBBPTDP1L3MBTL1
SCHEMBL18966662 0.88 EGFR (0.32) —

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 ALDH1A1 305/4885BRD4 1418/4885CREBBP 690/4885

“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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