SCHEMBL6401457

SCHEMBL6401457

CC(=O)Nc1ccc(C(CS(=O)(=O)Cc2ccc3sccc3c2)N(O)C=O)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.35
TP53 P04637 5/20 0.35
HTR2C P28335 2/20 0.34
HTR2A P28223 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
MEN1 O00255 5/20 0.32
KMT2A Q03164 5/20 0.32
CA2 P00918 1/20 0.32
CHEK1 O14757 1/20 0.32
AURKA O14965 1/20 0.32
NTRK1 P04629 1/20 0.32
MET P08581 1/20 0.32
PIM1 P11309 1/20 0.32
FGFR1 P11362 1/20 0.32
PRKACA P17612 1/20 0.32
GRK5 P34947 1/20 0.32
MAP2K2 P36507 1/20 0.32
FLT3 P36888 1/20 0.32
MAPK8 P45983 1/20 0.32
MAPK9 P45984 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
SCHEMBL6401450 1.00 MAPT (0.35) MAPTTP53HTR2CHTR2ATDP1
SCHEMBL6400687 0.93 CTNNB1 (0.32) MAPTTP53HTR2CHTR2AALDH1A1
SCHEMBL6400440 0.85 CSNK2A1 (0.36) CHEK1AURKANTRK1METPIM1
SCHEMBL6400431 0.85 CSNK2A1 (0.36) CHEK1AURKANTRK1METPIM1
SCHEMBL6401597 0.85 CA12 (0.35) CA2CHEK1AURKANTRK1MET
SCHEMBL6400972 0.85 CA12 (0.35) CA2CHEK1AURKANTRK1MET
SCHEMBL6400319 0.85 MMP2 (0.39) MEN1KMT2ACA2CHEK1AURKA
SCHEMBL6399715 0.85 MMP2 (0.39) MEN1KMT2ACA2CHEK1AURKA
SCHEMBL6399624 0.84 CA2 (0.36) TP53CA2CHEK1AURKANTRK1
SCHEMBL6399628 0.84 CA2 (0.36) TP53CA2CHEK1AURKANTRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050288376-A1 Bicyclyl or heterobicyclylmethanesulfonylanimo-substituted N-hydroxyformamides SMITHKLINE BEECHAM PLC 2005-12-29 US claimed
EP-1289980-B1 BICYCLYL OR HETEROBICYCLYLMETHANESULFONYLAMINO-SUBSTITUTED N-HYDROXYFORMAMIDES SMITHKLINE BEECHAM PLC (GB) 2004-11-17 EP claimed
US-20040024066-A1 Bicyclyl or heterobicyclylmethanesulfonylamino-substituted n-hydroxyformamides SMITHKLINE BEECHAM P.L.C. (GB) 2004-02-05 US claimed
US-20050288376-A1 Bicyclyl or heterobicyclylmethanesulfonylanimo-substituted N-hydroxyformamides SMITHKLINE BEECHAM PLC 2005-12-29 US disclosed
EP-1289980-B1 BICYCLYL OR HETEROBICYCLYLMETHANESULFONYLAMINO-SUBSTITUTED N-HYDROXYFORMAMIDES SMITHKLINE BEECHAM PLC (GB) 2004-11-17 EP disclosed
US-20040024066-A1 Bicyclyl or heterobicyclylmethanesulfonylamino-substituted n-hydroxyformamides SMITHKLINE BEECHAM P.L.C. (GB) 2004-02-05 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 (2 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-20050288376-A1 Bicyclyl or heterobicyclylmethanesulfonylanimo-substituted N-hydroxyformamides CD22, CD2, NEU3 MAPT 4864/4885TP53 2877/4885HTR2C 424/4885
US-20040024066-A1 Bicyclyl or heterobicyclylmethanesulfonylamino-substituted n-hydroxyformamides CD22, CD2, NEU3 MAPT 4873/4885TP53 3170/4885HTR2C 357/4885

“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.