SCHEMBL6733651

SCHEMBL6733651

O=C(NO)[C@H](NS(=O)(=O)Cc1ccc2sccc2c1)c1cccc(F)c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
MMP2 P08253 1/20 0.37
MMP13 P45452 1/20 0.37
ACP1 P24666 1/20 0.35
MRGPRX4 Q96LA9 2/20 0.34
CYP2A6 P11509 1/20 0.34
MEP1B Q16820 2/20 0.33
CSNK2A2 P19784 1/20 0.33
CSNK2B P67870 1/20 0.33
CSNK2A1 P68400 1/20 0.33
CNR2 P34972 1/20 0.33
OPRM1 P35372 1/20 0.32
ANPEP P15144 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
SCHEMBL6733654 1.00 HDAC4 (0.42) HDAC4HDAC7HDAC5MMP2MMP13
SCHEMBL6741376 0.89 MMP2 (0.39) HDAC4HDAC7HDAC5MMP2MMP13
SCHEMBL7061656 0.89 MMP2 (0.39) HDAC4HDAC7HDAC5MMP2MMP13
SCHEMBL6738953 0.89 MEP1B (0.41) MMP2MMP13MRGPRX4CYP2A6MEP1B
SCHEMBL6738949 0.89 MEP1B (0.41) MMP2MMP13MRGPRX4CYP2A6MEP1B
SCHEMBL7466758 0.85 MMP2 (0.36) MMP2MMP13CYP2A6ANPEP
SCHEMBL7466761 0.85 MMP2 (0.36) MMP2MMP13CYP2A6ANPEP
SCHEMBL6739244 0.84 MMP2 (0.39) MMP2MMP13MRGPRX4CYP2A6MEP1B
SCHEMBL6739240 0.84 MMP2 (0.39) MMP2MMP13MRGPRX4CYP2A6MEP1B
SCHEMBL6741372 0.83 MMP2 (0.38) HDAC4MMP2MMP13CYP2A6OPRM1

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 HDAC4 1333/4885HDAC7 761/4885HDAC5 1080/4885
US-20040225006-A1 (Hetero) bicyclymethanesulfonylamino-substituted hydroxamic acid derivates CD40, TNFRSF1A, CD2 HDAC4 1586/4885HDAC7 991/4885HDAC5 1625/4885

“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.