SCHEMBL6740091

SCHEMBL6740091

O=C(NO)C(Cn1cccn1)NS(=O)(=O)Cc1ccc2sccc2c1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
MMP2 P08253 1/20 0.37
MMP13 P45452 1/20 0.37
CYP2A6 P11509 1/20 0.32
CTNNB1 P35222 2/20 0.31
WNT3A P56704 2/20 0.31
NAMPT P43490 1/20 0.31
TDP1 Q9NUW8 1/20 0.30
PER2 O15055 1/20 0.30
CRY1 Q16526 1/20 0.30
CRY2 Q49AN0 1/20 0.30
HDAC8 Q9BY41 2/20 0.30
F10 P00742 1/20 0.30
TSHR P16473 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL6740083 1.00 HDAC1 (0.38) HDAC1HDAC6MMP2MMP13CYP2A6
Hydrochloric Acid SCHEMBL6741457 0.85 SLC1A3 (0.32) HDAC1HDAC6CYP2A6CTNNB1WNT3A
SCHEMBL6739588 0.80 MMP2 (0.41) HDAC1HDAC6MMP2MMP13HDAC8
SCHEMBL6740111 0.80 MMP2 (0.41) HDAC1HDAC6MMP2MMP13HDAC8
SCHEMBL6738691 0.78 MMP2 (0.40) HDAC1HDAC6MMP2MMP13CTNNB1
SCHEMBL6742980 0.78 HDAC1 (0.40) HDAC1HDAC6MMP2MMP13CYP2A6
SCHEMBL6742970 0.78 HDAC1 (0.40) HDAC1HDAC6MMP2MMP13CYP2A6
SCHEMBL6737622 0.78 MMP2 (0.40) HDAC1HDAC6MMP2MMP13CTNNB1
SCHEMBL6733620 0.75 MMP13 (0.39) MMP2MMP13CYP2A6HDAC8
SCHEMBL6733623 0.75 MMP13 (0.39) MMP2MMP13CYP2A6HDAC8

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 2 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 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 268/4885HDAC6 1510/4885MMP2 689/4885
US-20040225006-A1 (Hetero) bicyclymethanesulfonylamino-substituted hydroxamic acid derivates CD40, TNFRSF1A, CD2 HDAC1 209/4885HDAC6 1988/4885MMP2 849/4885

“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.