SCHEMBL18966660

SCHEMBL18966660

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.35
▸ TDP1 Q9NUW8 2/20 0.35
▸ CYP3A4 P08684 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ BRD4 O60885 1/20 0.34
▸ CREBBP Q92793 1/20 0.34
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ NAMPT P43490 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ PREP P48147 2/20 0.32
▸ ENPP2 Q13822 1/20 0.32
▸ FAAH O00519 1/20 0.32
▸ EPHX2 P34913 1/20 0.32
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ ACHE P22303 1/20 0.32
▸ ESR1 P03372 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
SCHEMBL18957326 0.96 ALDH1A1 (0.37) ALDH1A1TDP1CYP3A4TSHRMAPK1
SCHEMBL18957324 0.96 ALDH1A1 (0.37) ALDH1A1TDP1CYP3A4TSHRMAPK1
SCHEMBL18966634 0.90 ALDH1A1 (0.36) ALDH1A1TDP1CYP3A4TSHRMAPK1
SCHEMBL18966902 0.89 ALDH1A1 (0.38) ALDH1A1TDP1CYP3A4TSHRMAPK1
SCHEMBL18957128 0.89 NAMPT (0.32) MEN1KMT2ANAMPT
SCHEMBL18957129 0.89 NAMPT (0.32) MEN1KMT2ANAMPT
SCHEMBL18966651 0.89 TSHR (0.33) ALDH1A1TDP1TSHRL3MBTL1MEN1
SCHEMBL18966611 0.87 NAMPT (0.32) NAMPT
SCHEMBL18957054 0.86 NAMPT (0.34) NAMPT
SCHEMBL18957053 0.86 NAMPT (0.34) NAMPT

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 305/4885TDP1 1647/4885CYP3A4 921/4885

“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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