SCHEMBL3097109

SCHEMBL3097109

CC(C)CC(C(=O)O)C(=O)NS(=O)(=O)C=Cc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.58
GAA P10253 2/20 0.50
ADAM17 P78536 2/20 0.47
POLB P06746 1/20 0.44
KMT2A Q03164 1/20 0.44
LMNA P02545 2/20 0.43
ALDH1A1 P00352 1/20 0.43
LARS1 Q9P2J5 1/20 0.43
PPARG P37231 1/20 0.41

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
SCHEMBL3097106 1.00 HTT (0.58) HTTGAAADAM17POLBKMT2A
SCHEMBL3085729 0.84 MEN1 (0.45) HTTGAAADAM17POLBKMT2A
SCHEMBL3085727 0.84 MEN1 (0.45) HTTGAAADAM17POLBKMT2A
SCHEMBL3097444 0.84 HTT (0.55) HTTGAAPOLBKMT2ALMNA
SCHEMBL3097449 0.84 HTT (0.55) HTTGAAPOLBKMT2ALMNA
SCHEMBL3088288 0.82 HTT (0.43) HTTGAAADAM17POLBALDH1A1
SCHEMBL3096881 0.82 HTT (0.43) HTTGAAADAM17POLBKMT2A
SCHEMBL3088286 0.82 HTT (0.43) HTTGAAADAM17POLBALDH1A1
SCHEMBL3096871 0.82 HTT (0.43) HTTGAAADAM17POLBKMT2A
SCHEMBL3097484 0.82 HTT (0.52) HTTGAAADAM17POLBKMT2A

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 2793/4885GAA 272/4885ADAM17 1435/4885

“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.