SCHEMBL3089448

SCHEMBL3089448

CCN(C(=O)C(Cc1cnn(Cc2ccccc2)c1)C(=O)NS(=O)(=O)/C=C/c1ccccc1)c1cccc(C(=O)O)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 1/20 0.36
PPARG P37231 1/20 0.34
F2 P00734 2/20 0.34
KDM4E B2RXH2 1/20 0.34
OPRD1 P41143 1/20 0.33
ALK Q9UM73 1/20 0.33
HTT P42858 1/20 0.33
HDAC1 Q13547 1/20 0.33
SCD O00767 2/20 0.32
SCD5 Q86SK9 2/20 0.32
KMT2A Q03164 1/20 0.32
NR1H4 Q96RI1 1/20 0.32
HDAC2 Q92769 1/20 0.31
KDM5A P29375 1/20 0.31
KDM4C Q9H3R0 1/20 0.31
KDM5B Q9UGL1 1/20 0.31
PTGS2 P35354 2/20 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
SCHEMBL3089454 1.00 POLB (0.39) POLBTDP1L3MBTL1ALDH1A1PPARG
SCHEMBL3092559 0.92 HDAC2 (0.35) POLBALDH1A1F2HTTHDAC1
SCHEMBL3092554 0.92 HDAC2 (0.35) POLBALDH1A1F2HTTHDAC1
SCHEMBL3093208 0.92 ALDH1A1 (0.38) ALDH1A1PPARGF2KDM4EOPRD1
SCHEMBL3093217 0.92 ALDH1A1 (0.38) ALDH1A1PPARGF2KDM4EOPRD1
SCHEMBL3093137 0.92 ALDH1A1 (0.34) POLBALDH1A1F2KDM4EOPRD1
SCHEMBL3093130 0.92 ALDH1A1 (0.34) POLBALDH1A1F2KDM4EOPRD1
SCHEMBL3088724 0.92 KMT2A (0.37) POLBTDP1L3MBTL1ALDH1A1KDM4E
SCHEMBL3088725 0.92 KMT2A (0.37) POLBTDP1L3MBTL1ALDH1A1KDM4E
SCHEMBL3096719 0.90 SCD (0.34) POLBALDH1A1F2HTTHDAC1

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 POLB 4626/4885TDP1 4770/4885L3MBTL1 4273/4885

“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.