SCHEMBL6740455

SCHEMBL6740455

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

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 2/20 0.38
CA2 P00918 9/20 0.36
CA12 O43570 8/20 0.36
MRGPRX4 Q96LA9 2/20 0.36
MMP13 P45452 2/20 0.35
MMP2 P08253 1/20 0.35
CXCR1 P25024 1/20 0.33
MMP1 P03956 1/20 0.33
MMP9 P14780 1/20 0.33
ADAM17 P78536 1/20 0.33
ANPEP P15144 1/20 0.32
PTPRC P08575 1/20 0.32
PTPN6 P29350 1/20 0.32
PTPN11 Q06124 1/20 0.32
PTPN22 Q9Y2R2 1/20 0.32
BACE1 P56817 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
SCHEMBL6738238 0.90 MMP2 (0.37) MRGPRX4MMP13MMP2MMP1MMP9
SCHEMBL6738240 0.90 MMP2 (0.37) MRGPRX4MMP13MMP2MMP1MMP9
SCHEMBL6836178 0.87 CA2 (0.37) CXCR2CA2CA12MRGPRX4CXCR1
SCHEMBL6741376 0.86 MMP2 (0.39) CA2CA12MMP13MMP2ANPEP
SCHEMBL7061656 0.86 MMP2 (0.39) CA2CA12MMP13MMP2ANPEP
SCHEMBL6738949 0.85 MEP1B (0.41) MRGPRX4MMP13MMP2BACE1
SCHEMBL6738953 0.85 MEP1B (0.41) MRGPRX4MMP13MMP2BACE1
SCHEMBL6739244 0.85 MMP2 (0.39) MRGPRX4MMP13MMP2ANPEP
SCHEMBL6739240 0.85 MMP2 (0.39) MRGPRX4MMP13MMP2ANPEP
SCHEMBL6740820 0.84 MMP13 (0.43) CA2CA12MMP13MMP2MMP1

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 8 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
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-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
EP-1244616-A1 (HETERO)BICYCLYLMETHANESULFONYLAMINO-SUBSTITUTED HYDROXAMIC ACID DERIVATIVES SmithKline Beecham plc (GB) 2002-10-02 EP disclosed
WO-2001047874-A1 (HETERO)BICYCLYMETHANESULFONYLAMINO-SUBSTITUTED HYDROXAMIC ACID DERIVATIVES SMITHKLINE BEECHAM P.L.C. (GB) 2001-07-05 WO 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 CXCR2 420/4885CA2 673/4885CA12 165/4885
US-20040225006-A1 (Hetero) bicyclymethanesulfonylamino-substituted hydroxamic acid derivates CD40, TNFRSF1A, CD2 CXCR2 532/4885CA2 1138/4885CA12 301/4885

“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.