SCHEMBL3090563

SCHEMBL3090563

CCN(C(=O)C(Cc1ccccc1Br)C(=O)NS(=O)(=O)/C=C/c1ccccc1)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.38
POLB P06746 2/20 0.37
GAA P10253 3/20 0.36
ALDH1A1 P00352 4/20 0.34
GLA P06280 1/20 0.34
TSHR P16473 1/20 0.34
KMT2A Q03164 5/20 0.34
MEN1 O00255 3/20 0.34
CNR2 P34972 1/20 0.34
TARS1 P26639 1/20 0.34
LMNA P02545 2/20 0.33
ADAM17 P78536 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33

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
SCHEMBL3090566 1.00 HTT (0.38) HTTPOLBGAAALDH1A1GLA
SCHEMBL3103441 0.88 KMT2A (0.42) HTTPOLBGAAALDH1A1GLA
SCHEMBL3096882 0.86 POLB (0.39) HTTPOLBGAAALDH1A1GLA
SCHEMBL3096875 0.86 POLB (0.39) HTTPOLBGAAALDH1A1GLA
SCHEMBL3089180 0.84 HTT (0.37) HTTPOLBGAAALDH1A1KMT2A
SCHEMBL3089181 0.84 HTT (0.37) HTTPOLBGAAALDH1A1KMT2A
SCHEMBL3079178 0.83 POLB (0.40) HTTPOLBGAAALDH1A1GLA
SCHEMBL3079172 0.83 POLB (0.40) HTTPOLBGAAALDH1A1GLA
SCHEMBL3100158 0.83 KMT2A (0.41) HTTPOLBGAAALDH1A1KMT2A
SCHEMBL3083962 0.83 KMT2A (0.45) HTTPOLBGAAALDH1A1GLA

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 HTT 2793/4885POLB 4626/4885GAA 272/4885

“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.