SCHEMBL4495753

SCHEMBL4495753

O=[N+]([O-])c1cccc(S(=O)(=O)NCl)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.71
MMP2 P08253 2/20 0.71
CA1 P00915 1/20 0.71
MMP1 P03956 1/20 0.71
MMP9 P14780 1/20 0.71
MMP8 P22894 1/20 0.71
MMP13 P45452 1/20 0.71
KMT2A Q03164 2/20 0.69
MEN1 O00255 1/20 0.69
GAA P10253 1/20 0.66
HTT P42858 1/20 0.66
CA5A P35218 1/20 0.62
CYP19A1 P11511 1/20 0.61
F2 P00734 3/20 0.60
PRSS1 P07477 3/20 0.60
PRSS2 P07478 3/20 0.60
PRSS3 P35030 3/20 0.60
ALDH1A1 P00352 1/20 0.60
DDX3X O00571 1/20 0.58
CA12 O43570 1/20 0.58

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
SCHEMBL13590904 0.86 CA2 (0.75) CA2MMP2CA1MMP1MMP9
SCHEMBL1700168 0.83 CA2 (0.71) CA2MMP2CA1MMP1MMP9
SCHEMBL2956545 0.83 CA2 (0.71) CA2MMP2CA1MMP1MMP9
SCHEMBL12000920 0.83 CA2 (1.00) CA2MMP2CA1MMP1MMP9
SCHEMBL922350 0.83 CA2 (0.71) CA2MMP2CA1MMP1MMP9
SCHEMBL205255 0.82 KMT2A (0.75) CA2MMP2CA1MMP1MMP9
Hydrochloric Acid SCHEMBL15619039 0.81 CA2 (0.69) CA2MMP2CA1MMP1MMP9
Dinsed SCHEMBL1814194 0.81 KMT2A (1.00) CA2MMP2CA1MMP1MMP9
SCHEMBL58443 0.80 KMT2A (0.72) CA2MMP2CA1MMP1MMP9
SCHEMBL1701616 0.80 CA2 (0.67) CA2MMP2CA1MMP1MMP9

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
CN-115484933-A Hot melt extrusion solid dispersions containing BCL2 inhibitors 广州麓鹏制药有限公司 2022-12-16 CN disclosed
CN-109641897-A Bcl-2 selective depressant and its preparation and use 北京赛林泰医药技术有限公司 2019-04-16 CN disclosed
CN-104086540-A Preparation method for 5,6-DIHYDRO-1H-PYRIDIN-2-ONE COMPOUNDS ANADYS PHARMACEUTICALS INC 2014-10-08 CN disclosed
CN-101677563-B 5, 6-dihydro-1H-pyridin-2-one compounds ANADYS PHARMACEUTICALS INC 2014-06-25 CN disclosed
US-7632865-B2 Thioamides and salts thereof and cytokine production inhibitors containing both ISHIHARA SANGYO KAISHA, LTD. (JP) 2009-12-15 US disclosed
US-20070219215-A1 Thioamides and Salts Thereof and Cytokine Production Inhibitors Containing Both ISHIHARA SANGYO KAISHA, LTD (JP) 2007-09-20 US disclosed
EP-0791004-A1 ACYLATED BENZYLGLYCOSIDES AS INHIBITORS OF SMOOTH MUSCLE CELL PROLIFERATION AMERICAN HOME PRODUCTS CORPORATION (US) 1997-08-27 EP disclosed
WO-1996014325-A1 ACYLATED BENZYLGLYCOSIDES AS INHIBITORS OF SMOOTH MUSCLE CELL PROLIFERATION AMERICAN HOME PRODUCTS CORPORATION (US) 1996-05-17 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 (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-20070219215-A1 Thioamides and Salts Thereof and Cytokine Production Inhibitors Containing Both IFNG, TST, STAT6 CA2 413/4885MMP2 2973/4885CA1 1811/4885

“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.