SCHEMBL6400525

SCHEMBL6400525

COc1ccc(C(CS(=O)(=O)Cc2ccc3occc3c2)N(C=O)OC(=O)C(OC)c2ccccc2)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.34
PTPN22 Q9Y2R2 1/20 0.32
ATM Q13315 1/20 0.32
MAPT P10636 3/20 0.32
TP53 P04637 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
ACHE P22303 1/20 0.32
ALDH1A1 P00352 3/20 0.31
HPGD P15428 2/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31
PKM P14618 1/20 0.31
RECQL P46063 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
KDM4E B2RXH2 1/20 0.31
BACE2 Q9Y5Z0 1/20 0.31
MRGPRX4 Q96LA9 1/20 0.31
KLK7 P49862 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
SCHEMBL6400527 1.00 KMT2A (0.34) KMT2APTPN22ATMMAPTTP53
SCHEMBL6605842 1.00 KMT2A (0.34) KMT2APTPN22ATMMAPTTP53
SCHEMBL6399534 0.81 HTR1B (0.36) MAPTCA2ALDH1A1
SCHEMBL6399540 0.81 HTR1B (0.36) MAPTCA2ALDH1A1
SCHEMBL6400988 0.76 MMP2 (0.39) PTPN22CA2MRGPRX4CHRM5
SCHEMBL6404097 0.76 MMP2 (0.39) PTPN22CA2MRGPRX4CHRM5
SCHEMBL6984152 0.69 HTR1B (0.38) CA2POLBMRGPRX4PIN1
SCHEMBL6403422 0.69 MMP2 (0.39) MRGPRX4CHRM5
SCHEMBL6403417 0.69 MMP2 (0.39) MRGPRX4CHRM5
SCHEMBL6401008 0.64 MMP2 (0.45) KMT2A

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-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 KMT2A 2661/4885PTPN22 2014/4885ATM 4686/4885
US-20040024066-A1 Bicyclyl or heterobicyclylmethanesulfonylamino-substituted n-hydroxyformamides CD22, CD2, NEU3 KMT2A 2906/4885PTPN22 2148/4885ATM 4784/4885

“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.