SCHEMBL3092168

SCHEMBL3092168

COc1ccc(CC(C(=O)O)C(=O)NS(=O)(=O)/C=C/c2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.55
LMNA P02545 1/20 0.55
LDHA P00338 1/20 0.55
MMP1 P03956 3/20 0.49
MMP9 P14780 2/20 0.49
MMP13 P45452 1/20 0.49
PPARG P37231 4/20 0.49
NFE2L2 Q16236 1/20 0.49
HTT P42858 2/20 0.48
PPARA Q07869 2/20 0.45
ITGB3 P05106 1/20 0.45
ITGA2B P08514 1/20 0.45
MMP2 P08253 2/20 0.45
MMP3 P08254 1/20 0.45
PDE4A P27815 1/20 0.45
PDE4B Q07343 1/20 0.45
PDE4C Q08493 1/20 0.45
PDE4D Q08499 1/20 0.45
GAA P10253 1/20 0.45
EGFR P00533 2/20 0.44

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
SCHEMBL3092178 1.00 ALDH1A1 (0.55) ALDH1A1LMNALDHAMMP1MMP9
SCHEMBL3090514 0.90 MMP8 (0.54) ALDH1A1LMNALDHAMMP1MMP9
SCHEMBL3090518 0.90 MMP8 (0.54) ALDH1A1LMNALDHAMMP1MMP9
SCHEMBL15000084 0.88 ALDH1A1 (0.48) ALDH1A1LMNALDHAMMP1MMP9
SCHEMBL15000082 0.88 ALDH1A1 (0.48) ALDH1A1LMNALDHAMMP1MMP9
SCHEMBL3092640 0.86 ALDH1A1 (0.46) ALDH1A1LMNALDHAMMP1MMP9
SCHEMBL3092630 0.86 ALDH1A1 (0.46) ALDH1A1LMNALDHAMMP1MMP9
SCHEMBL3103855 0.86 KMT2A (0.51) PPARGHTTPPARAITGB3ITGA2B
SCHEMBL3103851 0.86 KMT2A (0.51) PPARGHTTPPARAITGB3ITGA2B
SCHEMBL3103647 0.85 ITGB3 (0.45) ALDH1A1LMNAPPARGHTTPPARA

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 ALDH1A1 617/4885LMNA 3803/4885LDHA 723/4885

“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.