SCHEMBL20568832

SCHEMBL20568832

COC(=O)c1[nH]c2c(C(C)=O)csc2c1-c1cc(Cl)cc(Cl)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.35
MET P08581 1/20 0.35
GSK3B P49841 1/20 0.35
LIMK1 P53667 1/20 0.35
DYRK1A Q13627 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
DYRK1B Q9Y463 1/20 0.35
SERPINH1 P50454 1/20 0.34
SLC6A3 Q01959 1/20 0.32
CNR1 P21554 2/20 0.32
CNR2 P34972 1/20 0.32
ALDH1A1 P00352 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
TUBB4A P04350 1/20 0.31
TUBB P07437 1/20 0.31
TUBA3C P0DPH7 1/20 0.31
TUBA1B P68363 1/20 0.31
TUBA4A P68366 1/20 0.31

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
SCHEMBL20568821 0.86 GPR35 (0.43) GPR35
SCHEMBL23351257 0.79 PDE3B (0.32) CHEK1METGSK3BLIMK1DYRK1A
SCHEMBL20568393 0.77 CHEK1 (0.40) CHEK1METGSK3BLIMK1DYRK1A
SCHEMBL23327808 0.75 GPR35 (0.38) GPR35
SCHEMBL23351436 0.74 HPGD (0.39) CNR2ALDH1A1TUBB4ATUBBTUBA3C
SCHEMBL20569211 0.73 SLC6A4 (0.38) CHEK1METGSK3BLIMK1DYRK1A
SCHEMBL23327639 0.72 GPR35 (0.42) CNR1CNR2ALDH1A1L3MBTL1MEN1
SCHEMBL23351314 0.72 NGFR (0.39) CNR2ALDH1A1MEN1KMT2AMAPT
SCHEMBL20568383 0.72 GPR35 (0.45) CNR2ALDH1A1L3MBTL1TUBB4ATUBB
SCHEMBL23351272 0.71 GPR35 (0.39) GPR35

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-20210137886-A1 INHIBITORS OF METALLO-BETA-LACTAMASES OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2021-05-13 US disclosed
US-20210137886-A1 INHIBITORS OF METALLO-BETA-LACTAMASES OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2021-05-13 US disclosed
EP-3630777-A1 INHIBITORS OF METALLO-BETA-LACTAMASES Oxford University Innovation Limited (GB) 2020-04-08 EP disclosed
WO-2018215800-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 (1 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-20210137886-A1 INHIBITORS OF METALLO-BETA-LACTAMASES MGAM, GAA, LCT CHEK1 3721/4885MET 1833/4885GSK3B 161/4885

“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.