SCHEMBL20568698

SCHEMBL20568698

CCc1cc(C(=O)OC)[nH]c1-c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.49
XDH P47989 1/20 0.44
LMNA P02545 3/20 0.43
PDE3B Q13370 1/20 0.42
PDE3A Q14432 1/20 0.42
ALDH1A1 P00352 5/20 0.42
NR4A2 P43354 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MMP2 P08253 1/20 0.42
CYP1A2 P05177 1/20 0.41
HPGD P15428 3/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPT P10636 2/20 0.41
MAPK10 P53779 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
RAB9A P51151 2/20 0.40

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
SCHEMBL23327339 0.84 HPGD (0.43) GAAPDE3BPDE3AALDH1A1CYP1A2
SCHEMBL20568733 0.81 GAA (0.51) GAAXDHLMNAALDH1A1NR4A2
SCHEMBL20568124 0.80 ABL1 (0.48) LMNAPDE3AALDH1A1HPGDKDM4E
SCHEMBL14995178 0.72 PDE3B (0.45) GAALMNAPDE3BPDE3AALDH1A1
SCHEMBL25054106 0.72 HTT (0.59) GAAXDHLMNAPDE3BPDE3A
SCHEMBL14741008 0.71 PDE3B (0.52) GAAPDE3BPDE3AALDH1A1HPGD
SCHEMBL20568152 0.71 RAB9A (0.42) GAALMNAPDE3BPDE3AALDH1A1
SCHEMBL20568399 0.71 LMNA (0.41) GAALMNAPDE3BPDE3AALDH1A1
SCHEMBL17014766 0.69 GAA (0.51) GAAXDHLMNAALDH1A1MMP2
SCHEMBL14995099 0.69 CDC7 (0.55) GAALMNAPDE3BPDE3AALDH1A1

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-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
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 2/4885XDH 85/4885LMNA 1457/4885
US-20210137884-A1 INHIBITORS OF METALLO-BETA-LACTAMASES MGAM, GAA, ALPI GAA 2/4885XDH 85/4885LMNA 1457/4885

“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.