SCHEMBL3096582

SCHEMBL3096582

C=CCC(C(=O)NS(=O)(=O)/C=C/c1nccs1)C(=O)N(CC)c1cccc2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.39
KMT2A Q03164 3/20 0.39
NLRP3 Q96P20 2/20 0.37
RIOK2 Q9BVS4 1/20 0.37
LMNA P02545 4/20 0.35
TSHR P16473 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
KDM4E B2RXH2 3/20 0.33
MAPT P10636 3/20 0.33
SIGMAR1 Q99720 3/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
FFAR2 O15552 1/20 0.32
HPGD P15428 2/20 0.31
HTT P42858 2/20 0.31
MEN1 O00255 2/20 0.31
NPC1 O15118 1/20 0.31
NFKB1 P19838 1/20 0.31
RAB9A P51151 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 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
SCHEMBL3096588 1.00 ALDH1A1 (0.39) ALDH1A1KMT2ANLRP3RIOK2LMNA
SCHEMBL3103311 0.88 NLRP3 (0.37) ALDH1A1KMT2ANLRP3RIOK2MAPT
SCHEMBL3103297 0.88 NLRP3 (0.37) ALDH1A1KMT2ANLRP3RIOK2MAPT
SCHEMBL3092781 0.85 ALDH1A1 (0.44) ALDH1A1KMT2ALMNATSHRNPSR1
SCHEMBL3092770 0.85 ALDH1A1 (0.44) ALDH1A1KMT2ALMNATSHRNPSR1
SCHEMBL3080433 0.77 LARS1 (0.46) ALDH1A1KMT2ANLRP3LMNAMAPT
SCHEMBL3093330 0.74 ALDH1A1 (0.40) ALDH1A1KMT2ALMNATSHRNPSR1
SCHEMBL3103225 0.74 HTT (0.38) ALDH1A1KMT2ASIGMAR1HTTTUBB4A
SCHEMBL3093337 0.74 ALDH1A1 (0.40) ALDH1A1KMT2ALMNATSHRNPSR1
SCHEMBL3103211 0.74 HTT (0.38) ALDH1A1KMT2ASIGMAR1HTTTUBB4A

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 ALDH1A1 617/4885KMT2A 1948/4885NLRP3 1883/4885

“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.