SCHEMBL17465696

SCHEMBL17465696

O=C(CN1CCC(O)CC1)N[C@H]1Cc2cccc(C(=O)O)c2OB1O

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.35
▸ USP2 O75604 1/20 0.34
▸ NAMPT P43490 1/20 0.34
▸ TACR2 P21452 1/20 0.34
▸ HTT P42858 3/20 0.33
▸ HRH3 Q9Y5N1 2/20 0.33
▸ RECQL P46063 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ DRD2 P14416 1/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ DRD3 P35462 1/20 0.33
▸ DRD4 P21917 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
SCHEMBL16100710 1.00 ALDH1A1 (0.35) ALDH1A1USP2NAMPTTACR2HTT
SCHEMBL16101987 0.91 ALDH1A1 (0.36) ALDH1A1HTTRECQLNPSR1KDM4E
SCHEMBL16119482 0.91 ALDH1A1 (0.36) ALDH1A1HTTRECQLNPSR1KDM4E
SCHEMBL17465753 0.90 ALDH1A1 (0.34) ALDH1A1KDM4EMAPTMEN1GAA
SCHEMBL16100502 0.90 ALDH1A1 (0.34) ALDH1A1KDM4EMAPTMEN1GAA
SCHEMBL16101140 0.89 ALDH1A1 (0.39) ALDH1A1MEN1KMT2ADRD2HTR2A
SCHEMBL16100945 0.89 MEN1 (0.35) ALDH1A1HTTKDM4EMEN1GAA
SCHEMBL16119419 0.89 MEN1 (0.35) ALDH1A1HTTKDM4EMEN1GAA
SCHEMBL16119492 0.89 ALDH1A1 (0.39) ALDH1A1MEN1KMT2ADRD2HTR2A
SCHEMBL17457720 0.88 SIGMAR1 (0.38) ALDH1A1KDM4EMAPT

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 3 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

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 305/4885USP2 869/4885NAMPT 1369/4885
US-20160024121-A1 BETA-LACTAMASE INHIBITORS MGAM, GAA, LCT ALDH1A1 305/4885USP2 869/4885NAMPT 1369/4885

“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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