SCHEMBL20568345

SCHEMBL20568345

CS(=O)(=O)Cc1ccc(-c2c(C(=O)O)[nH]c3ccsc23)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NEK1 Q96PY6 11/20 0.39
PDPK1 O15530 1/20 0.35
GPR35 Q9HC97 3/20 0.35
MAP2 P11137 1/20 0.33
GPR17 Q13304 1/20 0.32
GRIN1 Q05586 1/20 0.32

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
SCHEMBL20568485 0.89 NEK1 (0.38) NEK1PDPK1
SCHEMBL23327628 0.83 NEK1 (0.38) NEK1GPR35MAP2
SCHEMBL20569867 0.81 GPR35 (0.39) NEK1GPR35
SCHEMBL30794689 0.81 KDM4E (0.53) GPR35MAP2
SCHEMBL20569212 0.80 NEK1 (0.32) NEK1GPR35
SCHEMBL23327820 0.79 NEK1 (0.32) NEK1GPR35
SCHEMBL20568180 0.78 GPR35 (0.50) NEK1GPR35
SCHEMBL20568482 0.74 BRAF (0.36) GPR35MAP2GPR17GRIN1
SCHEMBL20568373 0.71 GPR35 (0.35) NEK1GPR35
SCHEMBL20568483 0.71 PRKCZ (0.33) NEK1GPR35

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 7 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 claimed
EP-3630777-A1 INHIBITORS OF METALLO-BETA-LACTAMASES Oxford University Innovation Limited (GB) 2020-04-08 EP claimed
WO-2018215800-A1 INHIBITORS OF METALLO-BETA-LACTAMASES OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2018-11-29 WO claimed
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 NEK1 3363/4885PDPK1 2475/4885GPR35 4727/4885

“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.