SCHEMBL3086332

SCHEMBL3086332

CCOC(=O)C(Cc1cnn(Cc2ccccc2)c1)C(=O)NS(=O)(=O)C=Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.47
PKM P14618 2/20 0.41
ALDH1A1 P00352 4/20 0.39
TP53 P04637 1/20 0.39
NPY1R P25929 1/20 0.39
NPY2R P49146 1/20 0.39
KMT2A Q03164 1/20 0.38
GAA P10253 1/20 0.38
PPARG P37231 1/20 0.38
LMNA P02545 2/20 0.37
HDAC2 Q92769 1/20 0.36
HTT P42858 1/20 0.36
ACACB O00763 1/20 0.35
TSHR P16473 1/20 0.35
F2 P00734 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
NCOR2 Q9Y618 1/20 0.35
ITK Q08881 1/20 0.35

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
SCHEMBL3086329 1.00 MMP8 (0.47) MMP8PKMALDH1A1TP53NPY1R
SCHEMBL3100422 0.90 HTT (0.40) ALDH1A1GAALMNAHDAC2HTT
SCHEMBL3100408 0.90 HTT (0.40) ALDH1A1GAALMNAHDAC2HTT
SCHEMBL3103969 0.87 HDAC2 (0.36) ALDH1A1GAALMNAHDAC2HTT
SCHEMBL3103975 0.87 HDAC2 (0.36) ALDH1A1GAALMNAHDAC2HTT
SCHEMBL27809080 0.85 MMP8 (0.43) MMP8PKMALDH1A1TP53NPY1R
SCHEMBL3084865 0.85 PPARG (0.42) MMP8ALDH1A1TP53NPY1RNPY2R
SCHEMBL3084867 0.85 PPARG (0.42) MMP8ALDH1A1TP53NPY1RNPY2R
SCHEMBL3092554 0.84 HDAC2 (0.35) ALDH1A1GAALMNAHDAC2HTT
SCHEMBL3092559 0.84 HDAC2 (0.35) ALDH1A1GAALMNAHDAC2HTT

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 MMP8 3060/4885PKM 1468/4885ALDH1A1 617/4885

“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.