SCHEMBL3083728

SCHEMBL3083728

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

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.41
GAA P10253 3/20 0.39
ALDH1A1 P00352 4/20 0.37
GLA P06280 1/20 0.37
TSHR P16473 1/20 0.37
TRPM8 Q7Z2W7 2/20 0.36
CNR2 P34972 1/20 0.36
KMT2A Q03164 4/20 0.36
MEN1 O00255 2/20 0.36
TARS1 P26639 1/20 0.35
POLB P06746 2/20 0.35
RRM1 P23921 1/20 0.35
LMNA P02545 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HPGD P15428 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
SCHEMBL3083726 1.00 HTT (0.41) HTTGAAALDH1A1GLATSHR
SCHEMBL3096349 0.93 KMT2A (0.41) HTTGAACNR2KMT2AMEN1
SCHEMBL3086055 0.93 HTT (0.38) HTTGAATSHRCNR2TARS1
SCHEMBL3096360 0.93 KMT2A (0.41) HTTGAACNR2KMT2AMEN1
SCHEMBL3086056 0.93 HTT (0.38) HTTGAATSHRCNR2TARS1
SCHEMBL3092855 0.92 GAA (0.41) HTTGAAALDH1A1CNR2KMT2A
SCHEMBL3093342 0.92 OPRM1 (0.41) HTTGAAALDH1A1KMT2AMEN1
SCHEMBL3093352 0.92 OPRM1 (0.41) HTTGAAALDH1A1KMT2AMEN1
SCHEMBL3097051 0.91 NOS3 (0.36) HTTGAACNR2
SCHEMBL3097057 0.91 NOS3 (0.36) HTTGAACNR2

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 272/4885ALDH1A1 617/4885

“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.