SCHEMBL3093145

SCHEMBL3093145

O=C(NS(=O)(=O)/C=C/c1ccccc1)C(Cc1cnn(Cc2ccccc2)c1)C(=O)N(CCO)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 2/20 0.35
HDAC3 O15379 2/20 0.33
HDAC8 Q9BY41 2/20 0.33
NCOR2 Q9Y618 2/20 0.33
ITK Q08881 1/20 0.33
HDAC1 Q13547 2/20 0.33
F2 P00734 1/20 0.32
ACACB O00763 2/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
TRPM8 Q7Z2W7 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
POLB P06746 1/20 0.32
SCD O00767 3/20 0.32
SCD5 Q86SK9 3/20 0.32
HDAC6 Q9UBN7 2/20 0.32
HDAC4 P56524 1/20 0.32
HDAC10 Q969S8 1/20 0.32
ERCC5 P28715 1/20 0.31

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
SCHEMBL3093155 1.00 HDAC2 (0.35) HDAC2HDAC3HDAC8NCOR2ITK
SCHEMBL3092554 0.92 HDAC2 (0.35) HDAC2HDAC3HDAC8NCOR2ITK
SCHEMBL3092559 0.92 HDAC2 (0.35) HDAC2HDAC3HDAC8NCOR2ITK
SCHEMBL3093150 0.88 ACACB (0.33) HDAC2HDAC3HDAC8NCOR2ITK
SCHEMBL3093156 0.88 ACACB (0.33) HDAC2HDAC3HDAC8NCOR2ITK
SCHEMBL3087953 0.87 HTT (0.36) HDAC2HDAC3HDAC8NCOR2ITK
SCHEMBL3087955 0.87 HTT (0.36) HDAC2HDAC3HDAC8NCOR2ITK
SCHEMBL3093130 0.87 ALDH1A1 (0.34) HDAC2HDAC3HDAC8NCOR2ITK
SCHEMBL3093137 0.87 ALDH1A1 (0.34) HDAC2HDAC3HDAC8NCOR2ITK
SCHEMBL3100422 0.87 HTT (0.40) HDAC2HDAC3HDAC8NCOR2ITK

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 HDAC2 1497/4885HDAC3 758/4885HDAC8 1059/4885

“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.