SCHEMBL23327628

SCHEMBL23327628

CS(=O)(=O)Cc1ccc(-c2c(C(=O)O)[nH]c3sccc23)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NEK1 Q96PY6 7/20 0.38
GPR35 Q9HC97 5/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
MAP2 P11137 1/20 0.33
KMT2A Q03164 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
HTT P42858 1/20 0.31
GFER P55789 1/20 0.31
HSD17B10 Q99714 1/20 0.31
SCN9A Q15858 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
SCHEMBL20568345 0.83 NEK1 (0.39) NEK1GPR35MAP2
SCHEMBL30794689 0.81 KDM4E (0.53) GPR35MAP2KMT2AKDM4EMEN1
SCHEMBL20569867 0.77 GPR35 (0.39) NEK1GPR35SCN9A
SCHEMBL20569212 0.76 NEK1 (0.32) NEK1GPR35
SCHEMBL23327755 0.75 GPR35 (0.54) GPR35MAP2KMT2AKDM4EMEN1
SCHEMBL23327820 0.75 NEK1 (0.32) NEK1GPR35
SCHEMBL20568180 0.74 GPR35 (0.50) NEK1GPR35SCN9A
SCHEMBL20568482 0.74 BRAF (0.36) GPR35MAP2KMT2AKDM4EMEN1
SCHEMBL20568485 0.72 NEK1 (0.38) NEK1KDM4E
SCHEMBL20568609 0.69 KEAP1 (0.31)

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 3 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
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

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 3363/4885GPR35 4727/4885PTGDR2 3660/4885

“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.