SCHEMBL22326350

SCHEMBL22326350

O=C1c2ccccc2C(=O)N1OCCON1C(=O)c2ccccc2C1=O

nearest known ligand 0.88

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.88
ALDH1A1 P00352 5/20 0.72
CYP1A2 P05177 2/20 0.59
RECQL P46063 1/20 0.59
KMT2A Q03164 3/20 0.56
MAPT P10636 3/20 0.56
MEN1 O00255 2/20 0.56
CYP2C9 P11712 1/20 0.56
TDP1 Q9NUW8 1/20 0.53
HTT P42858 1/20 0.51
ATM Q13315 1/20 0.49
KDM4E B2RXH2 1/20 0.47
HPGD P15428 1/20 0.47
POLB P06746 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
RAB9A P51151 1/20 0.44

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
SCHEMBL3077457 0.94 GAA (1.00) GAAALDH1A1CYP1A2RECQLKMT2A
SCHEMBL12028883 0.94 GAA (1.00) GAAALDH1A1CYP1A2RECQLKMT2A
SCHEMBL12029057 0.94 GAA (1.00) GAAALDH1A1CYP1A2RECQLKMT2A
SCHEMBL6570943 0.91 GAA (0.74) GAAALDH1A1CYP1A2RECQLKMT2A
SCHEMBL30804996 0.90 GAA (0.72) GAAALDH1A1CYP1A2RECQLKMT2A
SCHEMBL1038374 0.90 GAA (0.72) GAAALDH1A1CYP1A2RECQLKMT2A
SCHEMBL24507059 0.89 GAA (0.71) GAAALDH1A1CYP1A2RECQLKMT2A
SCHEMBL13545621 0.88 GAA (0.69) GAAALDH1A1CYP1A2RECQLKMT2A
SCHEMBL6625137 0.87 GAA (0.69) GAAALDH1A1CYP1A2RECQLKMT2A
SCHEMBL2452322 0.87 GAA (0.69) GAAALDH1A1CYP1A2RECQLKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11180501-B2 Crystal form of β-lactamase inhibitor and preparation method therefor QILU PHARMACEUTICAL CO., LTD. (CN) 2021-11-23 US disclosed
EP-3466950-B1 NOVEL BETA-LACTAMASE INHIBITORS QILU PHARMACEUTICAL CO LTD (CN) 2021-02-24 EP disclosed
US-20200385385-A1 CRYSTAL FORM OF ß-LACTAMASE INHIBITOR AND PREPARATION METHOD THEREFOR QILU PHARMACEUTICAL CO., LTD. (CN) 2020-12-10 US disclosed
EP-3719020-A1 CRYSTAL FORM OF ß-LACTAMASE INHIBITOR AND PREPARATION METHOD THEREFOR Qilu Pharmaceutical Co., Ltd (CN) 2020-10-07 EP disclosed
US-10738051-B2 β-lactamase inhibitors QILU PHARMACEUTICAL CO., LTD. (CN) 2020-08-11 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 (3 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-11180501-B2 Crystal form of β-lactamase inhibitor and preparation method therefor NOTUM, MRPL21, BPHL GAA 43/4885ALDH1A1 1396/4885CYP1A2 882/4885
US-20200385385-A1 CRYSTAL FORM OF ß-LACTAMASE INHIBITOR AND PREPARATION METHOD THEREFOR NOTUM, BPHL, DCXR GAA 39/4885ALDH1A1 1283/4885CYP1A2 779/4885
US-10738051-B2 β-lactamase inhibitors MGAM, LCT, CEL GAA 11/4885ALDH1A1 494/4885CYP1A2 617/4885

“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.