SCHEMBL3079642

SCHEMBL3079642

CCN(C(=O)C(CC(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)/C=C/c1ccccc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NLRP3 Q96P20 1/20 0.43
ALOX5 P09917 1/20 0.43
ALDH1A1 P00352 5/20 0.40
OXTR P30559 2/20 0.40
AVPR1A P37288 2/20 0.40
PLA2G1B P04054 1/20 0.40
ATG4B Q9Y4P1 1/20 0.40
PKM P14618 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
BCHE P06276 1/20 0.40
MAOA P21397 1/20 0.40
ACHE P22303 1/20 0.40
MAOB P27338 1/20 0.40
DPP8 Q6V1X1 1/20 0.40
DPP7 Q9UHL4 1/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL3079645 1.00 MEN1 (0.43) MEN1KMT2ANLRP3ALOX5ALDH1A1
SCHEMBL3096572 0.82 MEN1 (0.57) MEN1KMT2ANLRP3ALOX5ALDH1A1
SCHEMBL3090029 0.81 MAPT (0.38) MEN1KMT2AALDH1A1PKMNPSR1
SCHEMBL3090034 0.81 MAPT (0.38) MEN1KMT2AALDH1A1PKMNPSR1
SCHEMBL3085785 0.79 MEN1 (0.44) MEN1KMT2AALDH1A1NPSR1CYP2C19
SCHEMBL3085786 0.79 MEN1 (0.44) MEN1KMT2AALDH1A1NPSR1CYP2C19
SCHEMBL3089339 0.78 MEN1 (0.52) MEN1KMT2ANLRP3ALOX5ALDH1A1
SCHEMBL3083858 0.77 PARP1 (0.46)
SCHEMBL3083860 0.77 PARP1 (0.46)
SCHEMBL3083726 0.76 HTT (0.41) MEN1KMT2AALDH1A1KDM4EHPGD

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 MEN1 2509/4885KMT2A 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.