SCHEMBL3092855

SCHEMBL3092855

C=CCC(C(=O)NS(=O)(=O)/C=C/c1ccccc1)C(=O)N(CC)c1ccc(SC)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.41
HTT P42858 1/20 0.36
PTGES2 Q9H7Z7 4/20 0.36
CNR2 P34972 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
KDM4E B2RXH2 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
NR1H4 Q96RI1 1/20 0.33
ALDH1A1 P00352 2/20 0.33
TARS1 P26639 1/20 0.33
RRM1 P23921 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
ALPG P10696 1/20 0.32

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 0.92 HTT (0.41) GAAHTTCNR2KMT2AMEN1
SCHEMBL3083728 0.92 HTT (0.41) GAAHTTCNR2KMT2AMEN1
SCHEMBL3096349 0.89 KMT2A (0.41) GAAHTTCNR2SMN1; SMN2KMT2A
SCHEMBL3086056 0.89 HTT (0.38) GAAHTTCNR2TARS1RRM1
SCHEMBL3086055 0.89 HTT (0.38) GAAHTTCNR2TARS1RRM1
SCHEMBL3096360 0.89 KMT2A (0.41) GAAHTTCNR2SMN1; SMN2KMT2A
SCHEMBL3097051 0.86 NOS3 (0.36) GAAHTTPTGES2CNR2
SCHEMBL3097057 0.86 NOS3 (0.36) GAAHTTPTGES2CNR2
SCHEMBL3100452 0.86 PKM (0.39) GAAHTTPTGES2CNR2SMN1; SMN2
SCHEMBL3093352 0.84 OPRM1 (0.41) GAAHTTSMN1; SMN2KMT2AMEN1

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 GAA 272/4885HTT 2793/4885PTGES2 1458/4885

“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.