SCHEMBL6742980

SCHEMBL6742980

O=C(NO)C(CNS(=O)(=O)Cc1ccccc1)NS(=O)(=O)Cc1ccc2sccc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.40
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
MMP2 P08253 3/20 0.38
MMP13 P45452 2/20 0.38
SLC1A3 P43003 1/20 0.37
SLC1A2 P43004 1/20 0.37
SLC1A1 P43005 1/20 0.37
CTNNB1 P35222 1/20 0.37
WNT3A P56704 1/20 0.37
MMP9 P14780 2/20 0.37
MMP7 P09237 2/20 0.37

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
SCHEMBL6742970 1.00 HDAC1 (0.40) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL6737622 0.88 MMP2 (0.40) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL6738691 0.88 MMP2 (0.40) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL6739079 0.84 MMP7 (0.44) MMP2MMP13MMP9MMP7CA2
SCHEMBL6739073 0.84 MMP7 (0.44) MMP2MMP13MMP9MMP7CA2
SCHEMBL6738953 0.82 MEP1B (0.41) HDAC1HDAC8HDAC6MMP2MMP13
SCHEMBL6738949 0.82 MEP1B (0.41) HDAC1HDAC8HDAC6MMP2MMP13
SCHEMBL6740111 0.81 MMP2 (0.41) HDAC1HDAC4HDAC7HDAC8HDAC6
SCHEMBL6739588 0.81 MMP2 (0.41) HDAC1HDAC4HDAC7HDAC8HDAC6
SCHEMBL6738805 0.80 MMP7 (0.46) MMP2SLC1A3SLC1A2SLC1A1CTNNB1

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 4 patents. 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
US-20030199571-A1 (Hetero) Bicyclymethanesulfonylamino-substituted hydroxamic acid derivatives SMITHKLINE BEECHAM P.L.C. (GB) 2003-10-23 US claimed
US-20040225006-A1 (Hetero) bicyclymethanesulfonylamino-substituted hydroxamic acid derivates SMITHKLINE BEECHAM P.L.C. 2004-11-11 US disclosed
US-20030199571-A1 (Hetero) Bicyclymethanesulfonylamino-substituted hydroxamic acid derivatives SMITHKLINE BEECHAM P.L.C. (GB) 2003-10-23 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-20030199571-A1 (Hetero) Bicyclymethanesulfonylamino-substituted hydroxamic acid derivatives CD40, CD22, CD2 HDAC1 268/4885HDAC3 221/4885HDAC4 1333/4885
US-20040225006-A1 (Hetero) bicyclymethanesulfonylamino-substituted hydroxamic acid derivates CD40, TNFRSF1A, CD2 HDAC1 209/4885HDAC3 330/4885HDAC4 1586/4885

“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.