SCHEMBL3096872

SCHEMBL3096872

CC(C)Cc1ccc(S(=O)(=O)NC(=O)C(Cc2ccc([N+](=O)[O-])cc2)C(=O)O)c(-c2ccccc2)c1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
MMP2 P08253 7/20 0.41
MMP1 P03956 6/20 0.41
MMP9 P14780 6/20 0.41
MMP8 P22894 6/20 0.41
MMP13 P45452 6/20 0.41
ITGB3 P05106 1/20 0.41
ITGAV P06756 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
RAB9A P51151 1/20 0.41
ITGA4 P13612 1/20 0.40
ITGB7 P26010 1/20 0.40
LMNA P02545 1/20 0.40
BCL2 P10415 1/20 0.39

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
SCHEMBL3100860 0.88 ALDH1A1 (0.43) MEN1KMT2AMMP2MMP1MMP9
SCHEMBL3101091 0.81 ITGB3 (0.51) MEN1KMT2AMMP2MMP1MMP9
SCHEMBL3090740 0.76 MMP1 (0.53) MEN1KMT2AMMP2MMP1MMP9
SCHEMBL3089900 0.76 LARS1 (0.50) MEN1KMT2AMMP2MMP1MMP9
SCHEMBL3097100 0.74 GAA (0.53) MEN1KMT2AMMP2MMP9SMN1; SMN2
SCHEMBL3092469 0.72 GAA (0.54) KMT2ASMN1; SMN2RAB9ABCL2
SCHEMBL3097349 0.72 FLT1 (0.58) MEN1KMT2AMMP2MMP1MMP9
SCHEMBL15000273 0.71 BCL2 (0.48) MEN1KMT2AMMP2MMP1MMP9
SCHEMBL3092849 0.71 MMP1 (0.44) MMP2MMP1MMP9MMP8MMP13
SCHEMBL27808934 0.70 ITGB3 (0.46) MEN1KMT2AMMP2MMP1MMP9

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 MEN1 2509/4885KMT2A 1948/4885MMP2 1682/4885

“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.