SCHEMBL3096879

SCHEMBL3096879

CCN(C(=O)C(Cc1ccc(OCc2ccccc2)cc1)C(=O)NS(=O)(=O)/C=C/c1ccccc1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 6/20 0.45
GSK3B P49841 1/20 0.42
BACE1 P56817 1/20 0.42
MMP9 P14780 2/20 0.41
MMP8 P22894 2/20 0.41
PTPN1 P18031 2/20 0.41
PTPN2 P17706 1/20 0.41
PTPN11 Q06124 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALOX5 P09917 1/20 0.41
PPARA Q07869 2/20 0.40
MAOB P27338 1/20 0.40
NOX1 Q9Y5S8 1/20 0.40
MME P08473 1/20 0.40
ACE P12821 1/20 0.40
CPA1 P15085 1/20 0.40
ACE2 Q9BYF1 1/20 0.40
LTA4H P09960 1/20 0.40
PPARD Q03181 1/20 0.40
ITGB3 P05106 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
SCHEMBL3096888 1.00 PPARG (0.45) PPARGGSK3BBACE1MMP9MMP8
SCHEMBL3090279 0.91 MME (0.42) PPARGPTPN1ALOX5MAOBNOX1
SCHEMBL3090281 0.91 MME (0.42) PPARGPTPN1ALOX5MAOBNOX1
SCHEMBL3092630 0.90 ALDH1A1 (0.46) PPARGMMP9ITGB3ITGA2B
SCHEMBL3092640 0.90 ALDH1A1 (0.46) PPARGMMP9ITGB3ITGA2B
SCHEMBL3100032 0.88 ALDH1A1 (0.43) PPARGMMP9
SCHEMBL3100152 0.87 KMT2A (0.41) ITGB3ITGA2B
SCHEMBL3100420 0.87 POLB (0.41) ITGB3ITGA2B
SCHEMBL3100158 0.87 KMT2A (0.41) ITGB3ITGA2B
SCHEMBL3096875 0.87 POLB (0.39) MMP8ITGB3ITGA2B

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 PPARG 136/4885GSK3B 4529/4885BACE1 3240/4885

“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.