SCHEMBL6741381

SCHEMBL6741381

O=C(NO)C(NS(=O)(=O)Cc1ccc2sccc2c1)c1ccccc1F

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.38
MMP13 P45452 1/20 0.38
CYP2A6 P11509 1/20 0.34
CTNNB1 P35222 2/20 0.34
WNT3A P56704 2/20 0.34
HDAC4 P56524 4/20 0.34
HDAC1 Q13547 1/20 0.33
EEF2K O00418 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PTPRC P08575 1/20 0.33
PTPN6 P29350 1/20 0.33
PTPN11 Q06124 1/20 0.33
PTPN22 Q9Y2R2 1/20 0.33
OPRM1 P35372 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
SCHEMBL6741372 1.00 MMP2 (0.38) MMP2MMP13CYP2A6CTNNB1WNT3A
SCHEMBL6738949 0.85 MEP1B (0.41) MMP2MMP13CYP2A6CTNNB1WNT3A
SCHEMBL6738953 0.85 MEP1B (0.41) MMP2MMP13CYP2A6CTNNB1WNT3A
SCHEMBL6741376 0.84 MMP2 (0.39) MMP2MMP13CYP2A6HDAC4HDAC1
SCHEMBL7061656 0.84 MMP2 (0.39) MMP2MMP13CYP2A6HDAC4HDAC1
SCHEMBL6733651 0.83 HDAC4 (0.42) MMP2MMP13CYP2A6HDAC4OPRM1
SCHEMBL6733654 0.83 HDAC4 (0.42) MMP2MMP13CYP2A6HDAC4OPRM1
SCHEMBL7466758 0.82 MMP2 (0.36) MMP2MMP13CYP2A6HDAC1
SCHEMBL7466761 0.82 MMP2 (0.36) MMP2MMP13CYP2A6HDAC1
SCHEMBL6739244 0.81 MMP2 (0.39) MMP2MMP13CYP2A6CTNNB1WNT3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040225006-A1 (Hetero) bicyclymethanesulfonylamino-substituted hydroxamic acid derivates SMITHKLINE BEECHAM P.L.C. 2004-11-11 US claimed

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-20040225006-A1 (Hetero) bicyclymethanesulfonylamino-substituted hydroxamic acid derivates CD40, TNFRSF1A, CD2 MMP2 849/4885MMP13 71/4885CYP2A6 552/4885

“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.