SCHEMBL6741376

SCHEMBL6741376

O=C(NO)[C@H](NS(=O)(=O)Cc1ccc2sccc2c1)c1ccc(F)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.39
MMP13 P45452 1/20 0.39
HDAC6 Q9UBN7 2/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
CA12 O43570 1/20 0.36
CA2 P00918 1/20 0.36
CYP2A6 P11509 1/20 0.36
ANPEP P15144 3/20 0.35
KCNH2 Q12809 1/20 0.33
MCHR2 Q969V1 1/20 0.33
MCHR1 Q99705 1/20 0.33

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
SCHEMBL7061656 1.00 MMP2 (0.39) MMP2MMP13HDAC6HDAC1HDAC3
SCHEMBL6739244 0.91 MMP2 (0.39) MMP2MMP13HDAC1CYP2A6ANPEP
SCHEMBL6739240 0.91 MMP2 (0.39) MMP2MMP13HDAC1CYP2A6ANPEP
SCHEMBL6740817 0.90 MMP13 (0.43) MMP2MMP13HDAC6HDAC1HDAC3
SCHEMBL6740820 0.90 MMP13 (0.43) MMP2MMP13HDAC6HDAC1HDAC3
SCHEMBL6738949 0.89 MEP1B (0.41) MMP2MMP13HDAC6HDAC1HDAC8
SCHEMBL6738953 0.89 MEP1B (0.41) MMP2MMP13HDAC6HDAC1HDAC8
SCHEMBL6733651 0.89 HDAC4 (0.42) MMP2MMP13HDAC4HDAC7HDAC5
SCHEMBL6733654 0.89 HDAC4 (0.42) MMP2MMP13HDAC4HDAC7HDAC5
SCHEMBL7466758 0.87 MMP2 (0.36) MMP2MMP13HDAC6HDAC1HDAC3

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
EP-1244616-A1 (HETERO)BICYCLYLMETHANESULFONYLAMINO-SUBSTITUTED HYDROXAMIC ACID DERIVATIVES SmithKline Beecham plc (GB) 2002-10-02 EP claimed
WO-2001047874-A1 (HETERO)BICYCLYMETHANESULFONYLAMINO-SUBSTITUTED HYDROXAMIC ACID DERIVATIVES SMITHKLINE BEECHAM P.L.C. (GB) 2001-07-05 WO claimed
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 MMP2 689/4885MMP13 94/4885HDAC6 1510/4885
US-20040225006-A1 (Hetero) bicyclymethanesulfonylamino-substituted hydroxamic acid derivates CD40, TNFRSF1A, CD2 MMP2 849/4885MMP13 71/4885HDAC6 1988/4885

“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.