SCHEMBL3103647

SCHEMBL3103647

O=C(O)C(Cc1ccc(OC(F)(F)F)cc1)C(=O)NS(=O)(=O)/C=C/c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.45
ITGA2B P08514 1/20 0.45
FPR2 P25090 1/20 0.45
HTT P42858 1/20 0.43
PPARG P37231 5/20 0.41
PPARA Q07869 2/20 0.41
EPHX2 P34913 2/20 0.41
GRIK1 P39086 1/20 0.40
GRIK2 Q13002 1/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 1/20 0.40
GAA P10253 2/20 0.40
PTGES2 Q9H7Z7 1/20 0.40
EPHX1 P07099 1/20 0.39
ESR1 P03372 1/20 0.39
ACACB O00763 1/20 0.39
LTA4H P09960 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL3103652 1.00 ITGB3 (0.45) ITGB3ITGA2BFPR2HTTPPARG
SCHEMBL3086131 0.90 MMP8 (0.50) ITGB3ITGA2BFPR2HTTPPARG
SCHEMBL3086129 0.90 MMP8 (0.50) ITGB3ITGA2BFPR2HTTPPARG
SCHEMBL15000095 0.88 CNR2 (0.40) ITGB3ITGA2BFPR2HTTPPARG
SCHEMBL15000092 0.88 CNR2 (0.40) ITGB3ITGA2BFPR2HTTPPARG
SCHEMBL3085692 0.86 NR1H4 (0.41) ITGB3ITGA2BFPR2HTTPPARG
SCHEMBL3085695 0.86 NR1H4 (0.41) ITGB3ITGA2BFPR2HTTPPARG
SCHEMBL3092178 0.85 ALDH1A1 (0.55) ITGB3ITGA2BHTTPPARGPPARA
SCHEMBL3092168 0.85 ALDH1A1 (0.55) ITGB3ITGA2BHTTPPARGPPARA
SCHEMBL3103851 0.85 KMT2A (0.51) ITGB3ITGA2BHTTPPARGPPARA

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 ITGB3 4763/4885ITGA2B 4596/4885FPR2 2996/4885

“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.