SCHEMBL5367341

SCHEMBL5367341

CS(=O)(=O)c1nccc(C(=O)O)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.47
KDM5A P29375 2/20 0.47
KDM3A Q9Y4C1 2/20 0.47
JMJD1C Q15652 1/20 0.47
TDP1 Q9NUW8 2/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
ACMSD Q8TDX5 1/20 0.42
ALDH1A1 P00352 4/20 0.40
MAPT P10636 3/20 0.40
KDM6B O15054 1/20 0.40
TET3 O43151 1/20 0.40
KDM4A O75164 1/20 0.40
BBOX1 O75936 1/20 0.40
KDM5C P41229 1/20 0.40
ASPH Q12797 1/20 0.40
KDM4D Q6B0I6 1/20 0.40
TET2 Q6N021 1/20 0.40
ALKBH5 Q6P6C2 1/20 0.40
KDM7A Q6ZMT4 1/20 0.40

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
SCHEMBL1490115 0.84 IRAK4 (0.38) KDM4EKDM5AKDM3AJMJD1CTSHR
SCHEMBL29472080 0.84 IRAK4 (0.38) KDM4EKDM5AKDM3AJMJD1CTSHR
SCHEMBL4852552 0.84 IRAK4 (0.38) KDM4EKDM5AKDM3AJMJD1CALDH1A1
SCHEMBL4851010 0.81 MAPK1 (0.41) KDM4EKDM3AALDH1A1MAPTKDM6B
SCHEMBL27620874 0.78 IRAK4 (0.40) KDM4EKDM5AKDM3AJMJD1CALDH1A1
SCHEMBL27620875 0.78 IRAK4 (0.34) KDM4EKDM5AKDM3AJMJD1CALDH1A1
SCHEMBL7407862 0.77 MAPT (0.55) KDM4EALDH1A1MAPTLMNAMEN1
SCHEMBL15483514 0.75 MEN1 (0.44) KDM4EKDM5AKDM3AALDH1A1MAPT
SCHEMBL3929459 0.75 PARP1 (0.37) KDM4EALDH1A1MAPTLMNAMEN1
SCHEMBL20790368 0.74 KDM4E (0.53) KDM4EKDM5AKDM3AALDH1A1MAPT

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114222737-A Small molecule inhibitor of NF-kB induced kinase 詹森药业有限公司 2022-03-22 CN disclosed
US-7259157-B2 N-substituted nonaryl-heterocyclo amidyl NMDA/NR2B Antagonists MERCK & CO., INC. (US) 2007-08-21 US disclosed
US-7259157-B2 N-substituted nonaryl-heterocyclo amidyl NMDA/NR2B Antagonists MERCK & CO., INC. (US) 2007-08-21 US disclosed
US-7259157-B2 N-substituted nonaryl-heterocyclo amidyl NMDA/NR2B Antagonists MERCK & CO., INC. (US) 2007-08-21 US disclosed
CN-1250551-C Spiro-6, 7-dihydro-5H-pyrazolo [1, 2-A ] pyrazol-1-ones which control inflammatory cytokines PROCTER & GAMBLE (US) 2006-04-12 CN disclosed
EP-1390034-A4 N-SUBSTITUTED NONARYL-HETEROCYCLO AMIDYL NMDA/NR2B ANTAGONISTS MERCK & CO INC (US) 2005-07-13 EP disclosed
CN-1555379-A Spirocyclic-6,7-dihydro-5h-pyrazolo[1,2-a]pyrazol-1-ones which control inflammatory cytokines 2004-12-15 CN disclosed
EP-1390034-A1 N-SUBSTITUTED NONARYL-HETEROCYCLO AMIDYL NMDA/NR2B ANTAGONISTS Merck & Co., Inc. (US) 2004-02-25 EP disclosed
US-20030119811-A1 N-substituted nonaryl-heterocyclo amidyl NMDA/NR2B Antagonists MERCK SHARP & DOHME CORP. 2003-06-26 US disclosed
WO-2002080928-A1 N-SUBSTITUTED NONARYL-HETEROCYCLO AMIDYL NMDA/NR2B ANTAGONISTS MERCK & CO., INC. (US) 2002-10-17 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-20030119811-A1 N-substituted nonaryl-heterocyclo amidyl NMDA/NR2B Antagonists GRIN1, GRIN2B, GRIN2A KDM4E 2754/4885KDM5A 3207/4885KDM3A 2471/4885

“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.