SCHEMBL3100422

SCHEMBL3100422

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC3 O15379 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
NCOR2 Q9Y618 1/20 0.39
ITK Q08881 1/20 0.39
GAA P10253 2/20 0.38
HDAC1 Q13547 1/20 0.38
LMNA P02545 1/20 0.37
ACACB O00763 2/20 0.37
SCD O00767 3/20 0.37
SCD5 Q86SK9 3/20 0.37
F2 P00734 1/20 0.37
POLB P06746 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KDM1A O60341 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36

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
SCHEMBL3100408 1.00 HTT (0.40) HTTHDAC2HDAC3HDAC8NCOR2
SCHEMBL3086329 0.90 MMP8 (0.47) HTTHDAC2HDAC3HDAC8NCOR2
SCHEMBL3086332 0.90 MMP8 (0.47) HTTHDAC2HDAC3HDAC8NCOR2
SCHEMBL3103969 0.89 HDAC2 (0.36) HTTHDAC2HDAC3HDAC8NCOR2
SCHEMBL3103975 0.89 HDAC2 (0.36) HTTHDAC2HDAC3HDAC8NCOR2
SCHEMBL3087953 0.87 HTT (0.36) HTTHDAC2HDAC3HDAC8NCOR2
SCHEMBL3087955 0.87 HTT (0.36) HTTHDAC2HDAC3HDAC8NCOR2
SCHEMBL3092559 0.87 HDAC2 (0.35) HTTHDAC2HDAC3HDAC8NCOR2
SCHEMBL3093145 0.87 HDAC2 (0.35) HTTHDAC2HDAC3HDAC8NCOR2
SCHEMBL3092554 0.87 HDAC2 (0.35) HTTHDAC2HDAC3HDAC8NCOR2

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 HTT 2793/4885HDAC2 1497/4885HDAC3 758/4885

“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.