SCHEMBL6925536

SCHEMBL6925536

O=[N+]([O-])c1ccccc1S(=O)(=O)NC(c1ccccc1)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.59
CA2 P00918 1/20 0.59
MMP1 P03956 1/20 0.59
MMP2 P08253 1/20 0.59
MMP9 P14780 1/20 0.59
MMP8 P22894 1/20 0.59
MMP13 P45452 1/20 0.59
KMT2A Q03164 5/20 0.54
MEN1 O00255 4/20 0.54
F2 P00734 1/20 0.51
PRSS1 P07477 1/20 0.51
PRSS2 P07478 1/20 0.51
PRSS3 P35030 1/20 0.51
THRB P10828 1/20 0.51
CYP19A1 P11511 1/20 0.50
TDP1 Q9NUW8 2/20 0.49
ALDH1A1 P00352 2/20 0.48
GAA P10253 2/20 0.48
LMNA P02545 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL11064560 0.85 CA1 (0.56) CA1CA2MMP1MMP2MMP9
SCHEMBL6287334 0.82 CA1 (0.57) CA1CA2MMP1MMP2MMP9
SCHEMBL6687929 0.82 CA1 (0.57) CA1CA2MMP1MMP2MMP9
SCHEMBL1027277 0.81 CA1 (0.63) CA1CA2MMP1MMP2MMP9
SCHEMBL9375398 0.78 CA1 (0.59) CA1CA2MMP1MMP2MMP9
SCHEMBL27870758 0.78 CA1 (0.59) CA1CA2MMP1MMP2MMP9
SCHEMBL27917300 0.78 CA1 (0.59) CA1CA2MMP1MMP2MMP9
SCHEMBL12207830 0.78 CA1 (0.59) CA1CA2MMP1MMP2MMP9
SCHEMBL5638275 0.78 CA1 (0.59) CA1CA2MMP1MMP2MMP9
SCHEMBL5638270 0.78 CA1 (0.59) CA1CA2MMP1MMP2MMP9

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1321454-A1 PROCESS FOR THE REMOVAL OF NITROBENZENESULFONYL Kaneka Corporation (JP) 2003-06-25 EP disclosed
US-6515179-B2 Reacting nitrobenzenesulfonyl group containing compound contacting with alkali metal alkoxide KANEKA CORPORATION (JP) 2003-02-04 US disclosed
US-20030009056-A1 PROCESS FOR THE REMOVAL OF NITROBENZENESULFONYL KANEKA CORPORATION (JP) 2003-01-09 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 (1 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-20030009056-A1 PROCESS FOR THE REMOVAL OF NITROBENZENESULFONYL NAAA, TST, AADAC CA1 1849/4885CA2 644/4885MMP1 3043/4885

“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.