SCHEMBL3100115

SCHEMBL3100115

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

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.38
NR1H4 Q96RI1 2/20 0.37
ADAM17 P78536 2/20 0.36
ERAP2 Q6P179 1/20 0.35
ERAP1 Q9NZ08 1/20 0.35
LNPEP Q9UIQ6 1/20 0.35
POLB P06746 1/20 0.35
GAA P10253 2/20 0.34
TARS1 P26639 4/20 0.34
MMP8 P22894 2/20 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
SCHEMBL3100105 1.00 HTT (0.38) HTTNR1H4ADAM17ERAP2ERAP1
SCHEMBL3085778 0.89 HTT (0.39) HTTNR1H4ADAM17ERAP2ERAP1
SCHEMBL3085777 0.89 HTT (0.39) HTTNR1H4ADAM17ERAP2ERAP1
SCHEMBL3096871 0.82 HTT (0.43) HTTADAM17POLBGAATARS1
SCHEMBL3096881 0.82 HTT (0.43) HTTADAM17POLBGAATARS1
SCHEMBL3093137 0.82 ALDH1A1 (0.34) HTTNR1H4POLBTARS1
SCHEMBL3093130 0.82 ALDH1A1 (0.34) HTTNR1H4POLBTARS1
SCHEMBL3101202 0.80 MME (0.39) HTTNR1H4ERAP2ERAP1LNPEP
SCHEMBL3089180 0.79 HTT (0.37) HTTPOLBGAATARS1MMP8
SCHEMBL3089181 0.79 HTT (0.37) HTTPOLBGAATARS1MMP8

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 2793/4885NR1H4 211/4885ADAM17 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.