SCHEMBL20568352

SCHEMBL20568352

COC(=O)c1cc2scc(C3CC3)c2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 2/20 0.43
XDH P47989 2/20 0.39
CHEK1 O14757 1/20 0.39
MET P08581 1/20 0.39
GSK3B P49841 1/20 0.39
LIMK1 P53667 1/20 0.39
DYRK1A Q13627 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
DYRK1B Q9Y463 1/20 0.39
CYP1A2 P05177 1/20 0.39
PDK2 Q15119 1/20 0.39
PDK4 Q16654 1/20 0.39
HRH4 Q9H3N8 1/20 0.38
DAO P14920 1/20 0.37
GAA P10253 3/20 0.36
GLA P06280 2/20 0.36
NGFR P08138 1/20 0.33
MAPK8 P45983 1/20 0.33
MAPK9 P45984 1/20 0.33
MAPK10 P53779 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
SCHEMBL20568607 0.82 DAO (0.54) GPR35HRH4DAOKDM4EMEN1
SCHEMBL1847169 0.78 XDH (0.54) GPR35XDHCHEK1METGSK3B
SCHEMBL5629360 0.77 PYGL (0.47) XDHCHEK1METGSK3BLIMK1
SCHEMBL20568672 0.75 CHEK1 (0.51) XDHCHEK1METGSK3BLIMK1
SCHEMBL20569393 0.74 CYP1A2 (0.41) XDHCHEK1METGSK3BLIMK1
SCHEMBL23351249 0.73 XDH (0.40) XDHCHEK1METGSK3BLIMK1
SCHEMBL20568731 0.73 CHEK1 (0.49) XDHCHEK1METGSK3BLIMK1
SCHEMBL20569593 0.73 DAO (0.69) XDHCHEK1METGSK3BLIMK1
SCHEMBL28444408 0.71 LMNA (0.50) XDHCHEK1METGSK3BLIMK1
SCHEMBL13563105 0.71 CYP1A2 (0.42) GPR35XDHCYP1A2PDK2PDK4

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 GPR35 4727/4885XDH 132/4885CHEK1 3721/4885

“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.