SCHEMBL20569211

SCHEMBL20569211

C=C(C)c1csc2c(-c3ccc(F)cc3)c(C(=O)OC)[nH]c12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.38
SLC6A3 Q01959 3/20 0.38
PTGS1 P23219 2/20 0.36
CHEK1 O14757 1/20 0.36
MET P08581 1/20 0.36
GSK3B P49841 1/20 0.36
LIMK1 P53667 1/20 0.36
DYRK1A Q13627 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
DYRK1B Q9Y463 1/20 0.36
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
CASP3 P42574 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
IKBKB O14920 1/20 0.34
GCGR P47871 2/20 0.34
MAPK14 Q16539 2/20 0.34

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
SCHEMBL23327637 0.87 GPR35 (0.37) PTGS1MAPK14MAPK13ALOX5MAPK12
SCHEMBL20568298 0.83 PTGS1 (0.44) SLC6A4SLC6A3PTGS1NPC1RAB9A
SCHEMBL20568377 0.83 GPR35 (0.44) SLC6A4SLC6A3PTGS1NPC1RAB9A
SCHEMBL20568636 0.81 GCGR (0.40) SLC6A4SLC6A3PTGS1NPC1RAB9A
SCHEMBL20568511 0.80 IKBKB (0.37) SLC6A4SLC6A3PTGS1IKBKBGCGR
SCHEMBL20568848 0.79 GPR35 (0.49) SLC6A4SLC6A3PTGS1IKBKBGCGR
SCHEMBL23327349 0.75 PTGER2 (0.40) MAPK14MAPK13ALOX5MAPK12MAPK11
SCHEMBL20568832 0.73 CHEK1 (0.35) SLC6A3CHEK1METGSK3BLIMK1
SCHEMBL20570307 0.69 CA12 (0.48) PTGS1PTGS2
SCHEMBL20570758 0.69 MCL1 (0.43) SLC6A4SLC6A3SMN1; SMN2IKBKBKDM4E

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 SLC6A4 4386/4885SLC6A3 3204/4885PTGS1 1295/4885

“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.