SCHEMBL3097547

SCHEMBL3097547

CCN(C(=O)C(CCC#N)C(=O)NS(=O)(=O)/C=C/c1ccccc1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.39
HTT P42858 1/20 0.39
USP2 O75604 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CTSC P53634 1/20 0.35
ALDH1A1 P00352 4/20 0.35
GLA P06280 1/20 0.35
TSHR P16473 1/20 0.35
CNR2 P34972 1/20 0.34
KMT2A Q03164 3/20 0.34
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
RRM1 P23921 1/20 0.34
LMNA P02545 2/20 0.33
TRPM8 Q7Z2W7 2/20 0.33

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
SCHEMBL3097552 1.00 GAA (0.39) GAAHTTUSP2HSD17B10CTSC
SCHEMBL3089351 0.90 HTT (0.40) GAAHTTCTSCALDH1A1GLA
SCHEMBL3089356 0.90 HTT (0.40) GAAHTTCTSCALDH1A1GLA
SCHEMBL15000187 0.89 HTT (0.41) GAAHTTCTSCALDH1A1KMT2A
SCHEMBL15000188 0.89 HTT (0.41) GAAHTTCTSCALDH1A1KMT2A
SCHEMBL3083735 0.84 HTT (0.48) GAAHTTHSD17B10CTSCALDH1A1
SCHEMBL3083733 0.84 HTT (0.48) GAAHTTHSD17B10CTSCALDH1A1
SCHEMBL3090061 0.84 HTT (0.40) GAAHTTALDH1A1GLATSHR
SCHEMBL3090066 0.84 HTT (0.40) GAAHTTALDH1A1GLATSHR
SCHEMBL3083726 0.83 HTT (0.41) GAAHTTHSD17B10ALDH1A1GLA

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 GAA 272/4885HTT 2793/4885USP2 1802/4885

“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.