SCHEMBL16119482

SCHEMBL16119482

NC1CCN(CC(=O)N[C@H]2Cc3cccc(C(=O)O)c3OB2O)CC1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.36
▸ HTT P42858 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ SMYD3 Q9H7B4 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ L3MBTL1 Q9Y468 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
SCHEMBL16101987 1.00 ALDH1A1 (0.36) ALDH1A1HTTRECQLNPSR1KDM4E
SCHEMBL16119412 0.94 HTT (0.32) ALDH1A1HTTRECQLNPSR1KDM4E
SCHEMBL16100774 0.94 HTT (0.32) ALDH1A1HTTRECQLNPSR1KDM4E
SCHEMBL16100777 0.94 HTT (0.32) ALDH1A1HTTRECQLNPSR1KDM4E
SCHEMBL16101638 0.94 HTT (0.32) ALDH1A1HTTRECQLNPSR1KDM4E
SCHEMBL16119410 0.94 HTT (0.32) ALDH1A1HTTRECQLNPSR1KDM4E
SCHEMBL16100710 0.91 ALDH1A1 (0.35) ALDH1A1HTTRECQLNPSR1KDM4E
SCHEMBL17465696 0.91 ALDH1A1 (0.35) ALDH1A1HTTRECQLNPSR1KDM4E
SCHEMBL16100945 0.90 MEN1 (0.35) ALDH1A1HTTKDM4EGAA
SCHEMBL17465675 0.90 DRD4 (0.35) ALDH1A1KDM4EL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10294248-B2 Beta-lactamase inhibitors VenatoRx Pharmaceuticals, Inc. (US) 2019-05-21 — — US disclosed
US-9944658-B2 Beta-lactamase inhibitors VenatoRx Pharmaceuticals, Inc. (US) 2018-04-17 — — US disclosed
US-20160024121-A1 BETA-LACTAMASE INHIBITORS VenatoRx Pharmaceuticals, Inc. 2016-01-28 — — US disclosed
WO-2014151958-A1 BETA-LACTAMASE INHIBITORS VenatoRx Pharmaceuticals, Inc. (US) 2014-09-25 — — 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 (2 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-10294248-B2 Beta-lactamase inhibitors MGAM, GAA, LCT ALDH1A1 305/4885HTT 4789/4885RECQL 1519/4885
US-20160024121-A1 BETA-LACTAMASE INHIBITORS MGAM, GAA, LCT ALDH1A1 305/4885HTT 4789/4885RECQL 1519/4885

“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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