SCHEMBL20568972

SCHEMBL20568972

COC(=O)c1[nH]c(N)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.45
ABL1 P00519 1/20 0.43
KDM4E B2RXH2 5/20 0.43
ALDH1A1 P00352 5/20 0.43
HPGD P15428 3/20 0.43
HSD17B10 Q99714 3/20 0.43
MAPT P10636 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
USP2 O75604 1/20 0.43
ALOX15 P16050 1/20 0.43
MAPK14 Q16539 3/20 0.40
RAF1 P04049 1/20 0.38
NQO2 P16083 3/20 0.38
CYP1A2 P05177 1/20 0.38
GLA P06280 2/20 0.37
CASP1 P29466 2/20 0.37
CASP7 P55210 2/20 0.37
ATM Q13315 1/20 0.37
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL3339408 0.82 MAPK14 (0.40) GAAABL1KDM4EALDH1A1HPGD
SCHEMBL3017649 0.80 MAPK1 (0.39) GAAABL1KDM4EALDH1A1HPGD
SCHEMBL3035325 0.78 CYP1A2 (0.40) GAAABL1KDM4EALDH1A1HPGD
SCHEMBL3029318 0.78 NGFR (0.42) KDM4EALDH1A1HPGDALOX15MAPK14
SCHEMBL3031984 0.78 CYP1A2 (0.40) GAAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL3024994 0.77 GAA (0.41) GAAABL1ALDH1A1MAPTALOX15
SCHEMBL3027631 0.75 GAA (0.41) GAAABL1KDM4EALDH1A1HPGD
SCHEMBL20568522 0.74 TDP1 (0.38) GAAKDM4EALDH1A1MAPTMAPK14
SCHEMBL3023847 0.74 CYP4A11 (0.40) KDM4EALDH1A1HPGDHSD17B10MAPK14
SCHEMBL15100750 0.72 TSHR (0.49) GAAABL1KDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11413272-B2 Inhibitors of metallo-beta-lactamases OXFORD UNIVERSITY INNOVATION LIMITED 2022-08-16 US disclosed
EP-3630728-B1 INHIBITORS OF METALLO-BETA-LACTAMASES UNIV OXFORD INNOVATION LTD (GB) 2022-07-27 EP disclosed
US-20210137884-A1 INHIBITORS OF METALLO-BETA-LACTAMASES OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2021-05-13 US disclosed
US-20210137884-A1 INHIBITORS OF METALLO-BETA-LACTAMASES OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2021-05-13 US disclosed
EP-3630728-A1 INHIBITORS OF METALLO-BETA-LACTAMASES Oxford University Innovation Limited (GB) 2020-04-08 EP disclosed
WO-2018215799-A1 INHIBITORS OF METALLO-BETA-LACTAMASES OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2018-11-29 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-11413272-B2 Inhibitors of metallo-beta-lactamases MGAM, GAA, ALPI GAA 2/4885ABL1 196/4885KDM4E 2289/4885
US-20210137884-A1 INHIBITORS OF METALLO-BETA-LACTAMASES MGAM, GAA, ALPI GAA 2/4885ABL1 196/4885KDM4E 2289/4885

“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.