SCHEMBL3103297

SCHEMBL3103297

C=CCC(C(=O)NS(=O)(=O)/C=C/c1nccs1)C(=O)N(CC)c1ccc2ccccc2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 2/20 0.37
RIOK2 Q9BVS4 1/20 0.35
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
MAPK14 Q16539 2/20 0.34
OXTR P30559 1/20 0.33
FFAR2 O15552 1/20 0.32
POLB P06746 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SIRT2 Q8IXJ6 1/20 0.31
KCNA5 P22460 1/20 0.31
PIN1 Q13526 1/20 0.30
CDC25B P30305 1/20 0.30

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
SCHEMBL3103311 1.00 NLRP3 (0.37) NLRP3RIOK2MEN1KMT2ANPC1
SCHEMBL3096582 0.88 ALDH1A1 (0.39) NLRP3RIOK2MEN1KMT2ANPC1
SCHEMBL3096588 0.88 ALDH1A1 (0.39) NLRP3RIOK2MEN1KMT2ANPC1
SCHEMBL3097464 0.83 CYP1A1 (0.39) NPC1RAB9A
SCHEMBL3097472 0.83 CYP1A1 (0.39) NPC1RAB9A
SCHEMBL3083726 0.76 HTT (0.41) MEN1KMT2AALDH1A1POLB
SCHEMBL3083728 0.76 HTT (0.41) MEN1KMT2AALDH1A1POLB
SCHEMBL3096349 0.74 KMT2A (0.41) MEN1KMT2APOLBSMN1; SMN2PKM
SCHEMBL3086055 0.74 HTT (0.38) CDC25BDUSP3MMP2
SCHEMBL3096360 0.74 KMT2A (0.41) MEN1KMT2APOLBSMN1; SMN2PKM

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 NLRP3 1883/4885RIOK2 3120/4885MEN1 2509/4885

“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.