SCHEMBL3103352

SCHEMBL3103352

CCOC(=O)C(Cc1cnn(C/C=C/c2ccccc2)c1)(C(=O)OCC)C(=O)OCC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 4/20 0.43
HDAC1 Q13547 4/20 0.43
HDAC2 Q92769 4/20 0.39
NCOR2 Q9Y618 2/20 0.39
HDAC4 P56524 2/20 0.39
HDAC7 Q8WUI4 2/20 0.39
HDAC10 Q969S8 2/20 0.39
HDAC11 Q96DB2 2/20 0.39
HDAC8 Q9BY41 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
HDAC9 Q9UKV0 2/20 0.39
HDAC5 Q9UQL6 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MMP8 P22894 1/20 0.39
KMT2A Q03164 3/20 0.38
OPRD1 P41143 1/20 0.38
KDM4E B2RXH2 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ALDH1A1 P00352 3/20 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
SCHEMBL3103362 1.00 HDAC3 (0.43) HDAC3HDAC1HDAC2NCOR2HDAC4
SCHEMBL3097061 0.82 ALDH1A1 (0.49) HDAC3NCOR2HDAC8MMP8KMT2A
SCHEMBL13153155 0.79 HDAC3 (0.43) HDAC3HDAC1HDAC2NCOR2HDAC4
SCHEMBL3088265 0.78 KMT2A (0.43) NPC1RAB9AMMP8KMT2AKDM4E
SCHEMBL15014145 0.78 HDAC3 (0.46) HDAC3HDAC1HDAC2NCOR2HDAC4
SCHEMBL15481137 0.76 RAB9A (0.64) HDAC3HDAC1HDAC2NCOR2HDAC4
SCHEMBL3472275 0.76 MMP8 (0.52) NPC1RAB9AMMP8KMT2AKDM4E
SCHEMBL3472271 0.76 MMP8 (0.52) NPC1RAB9AMMP8KMT2AKDM4E
SCHEMBL13181168 0.75 HDAC3 (0.44) HDAC3HDAC1HDAC2NCOR2HDAC4
SCHEMBL3093110 0.75 ALDH1A1 (0.47) NPC1RAB9AKMT2AKDM4EALDH1A1

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 HDAC3 758/4885HDAC1 1764/4885HDAC2 1497/4885

“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.