SCHEMBL3096881

SCHEMBL3096881

CC(C)CC(C(=O)NS(=O)(=O)C=Cc1ccccc1)C(=O)N(CCO)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.43
ADAM17 P78536 2/20 0.40
GAA P10253 2/20 0.38
POLB P06746 1/20 0.37
KMT2A Q03164 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
NCOR2 Q9Y618 1/20 0.35
ALDH1A1 P00352 2/20 0.34
LMNA P02545 1/20 0.34
LARS1 Q9P2J5 1/20 0.34
ADRB2 P07550 1/20 0.34
TRPM8 Q7Z2W7 2/20 0.34
TARS1 P26639 1/20 0.33
PPARG P37231 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
SCHEMBL3096871 1.00 HTT (0.43) HTTADAM17GAAPOLBKMT2A
SCHEMBL3097106 0.82 HTT (0.58) HTTADAM17GAAPOLBKMT2A
SCHEMBL3097109 0.82 HTT (0.58) HTTADAM17GAAPOLBKMT2A
SCHEMBL3100105 0.82 HTT (0.38) HTTADAM17GAAPOLBTARS1
SCHEMBL3100115 0.82 HTT (0.38) HTTADAM17GAAPOLBTARS1
SCHEMBL3085777 0.80 HTT (0.39) HTTADAM17GAAPOLBHDAC3
SCHEMBL3085778 0.80 HTT (0.39) HTTADAM17GAAPOLBHDAC3
SCHEMBL3088288 0.80 HTT (0.43) HTTADAM17GAAPOLBHDAC3
SCHEMBL3088286 0.80 HTT (0.43) HTTADAM17GAAPOLBHDAC3
SCHEMBL3085729 0.79 MEN1 (0.45) HTTADAM17GAAPOLBKMT2A

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 2793/4885ADAM17 1435/4885GAA 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.