SCHEMBL3090740

SCHEMBL3090740

O=C(O)C(Cc1ccc([N+](=O)[O-])cc1)C(=O)NS(=O)(=O)c1cccc2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 3/20 0.53
MMP2 P08253 3/20 0.53
MMP9 P14780 3/20 0.53
MMP8 P22894 3/20 0.53
MMP13 P45452 3/20 0.53
TYMS P04818 1/20 0.48
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CCR3 P51677 3/20 0.43
SLC1A3 P43003 1/20 0.43
SLC1A2 P43004 1/20 0.43
SLC1A1 P43005 1/20 0.43
ITGB1 P05556 1/20 0.42
ITGA4 P13612 1/20 0.42

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
SCHEMBL3096614 0.88 MMP8 (0.48) MMP1MMP2MMP9MMP8MMP13
SCHEMBL15000047 0.87 MMP1 (0.50) MMP1MMP2MMP9MMP8MMP13
SCHEMBL3089900 0.83 LARS1 (0.50) MMP1MMP2MMP9MMP8MMP13
SCHEMBL3101091 0.80 ITGB3 (0.51) MMP1MMP2MMP9MMP8MMP13
SCHEMBL6807324 0.79 TYMS (0.53) MMP1MMP2MMP9MMP8MMP13
SCHEMBL6807314 0.79 TYMS (0.53) MMP1MMP2MMP9MMP8MMP13
SCHEMBL3097349 0.77 FLT1 (0.58) MMP1MMP2MMP9MMP8MMP13
SCHEMBL3096872 0.76 MEN1 (0.44) MMP1MMP2MMP9MMP8MMP13
SCHEMBL3092469 0.75 GAA (0.54) KMT2A
SCHEMBL15000173 0.73 MMP1 (0.57) MMP1MMP2MMP9MMP8MMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2172450-B9 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2014-10-08 EP disclosed
EP-2172450-B1 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2013-10-16 EP disclosed
US-8461209-B2 Malonic acid sulfonamide derivative and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-06-11 US disclosed
US-20100228026-A1 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-09-09 US disclosed
EP-2172450-A1 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2010-04-07 EP 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-20100228026-A1 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF REN, AGTR2, AGTR1 MMP1 1303/4885MMP2 1682/4885MMP9 1227/4885

“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.