SCHEMBL3085778

SCHEMBL3085778

CC(C)CC(C(=O)NS(=O)(=O)C=Cc1ccccc1)C(=O)N(c1cccc(CO)c1)C(C)C

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.39
ADAM17 P78536 2/20 0.37
ERAP2 Q6P179 1/20 0.36
ERAP1 Q9NZ08 1/20 0.36
LNPEP Q9UIQ6 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 2/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
TARS1 P26639 2/20 0.35
NR1H4 Q96RI1 1/20 0.34
MMP8 P22894 2/20 0.34
TRPM8 Q7Z2W7 1/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34

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
SCHEMBL3085777 1.00 HTT (0.39) HTTADAM17ERAP2ERAP1LNPEP
SCHEMBL3100115 0.89 HTT (0.38) HTTADAM17ERAP2ERAP1LNPEP
SCHEMBL3100105 0.89 HTT (0.38) HTTADAM17ERAP2ERAP1LNPEP
SCHEMBL3097173 0.85 ADAM17 (0.40) HTTADAM17POLBNR1H4
SCHEMBL3097180 0.85 ADAM17 (0.40) HTTADAM17POLBNR1H4
SCHEMBL3093391 0.83 KMT2A (0.43) HTTADAM17POLBGAATRPM8
SCHEMBL3093403 0.83 KMT2A (0.43) HTTADAM17POLBGAATRPM8
Hydrochloric Acid SCHEMBL3088702 0.81 HTT (0.39) HTTADAM17POLBGAATRPM8
Hydrochloric Acid SCHEMBL3088705 0.81 HTT (0.39) HTTADAM17POLBGAATRPM8
SCHEMBL3096871 0.80 HTT (0.43) HTTADAM17POLBGAAHDAC3

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 1435/4885ERAP2 416/4885

“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.