SCHEMBL3089225

SCHEMBL3089225

C=CCC(C(=O)O)C(=O)NS(=O)(=O)C=Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.51
GAA P10253 3/20 0.47
KMT2A Q03164 3/20 0.44
CYP2C19 P33261 1/20 0.41
LMNA P02545 4/20 0.40
ALDH1A1 P00352 2/20 0.40
POLB P06746 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PKM P14618 1/20 0.40
HSP90AA1 P07900 2/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PTGES2 Q9H7Z7 1/20 0.38
PPARG P37231 1/20 0.38
NFE2L2 Q16236 1/20 0.38
HAO1 Q9UJM8 1/20 0.38

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
SCHEMBL3089222 1.00 HTT (0.51) HTTGAAKMT2ACYP2C19LMNA
SCHEMBL3091999 0.87 HTT (0.41) HTTGAAKMT2ACYP2C19LMNA
SCHEMBL3091993 0.87 HTT (0.41) HTTGAAKMT2ACYP2C19LMNA
SCHEMBL3097776 0.86 HTT (0.43) HTTGAAKMT2ALMNAALDH1A1
SCHEMBL3097783 0.86 HTT (0.43) HTTGAAKMT2ALMNAALDH1A1
SCHEMBL3092776 0.85 HTT (0.43) HTTGAAKMT2ALMNAALDH1A1
SCHEMBL3092765 0.85 HTT (0.43) HTTGAAKMT2ALMNAALDH1A1
SCHEMBL3097489 0.84 HTT (0.52) HTTGAAKMT2ALMNAALDH1A1
SCHEMBL3097484 0.84 HTT (0.52) HTTGAAKMT2ALMNAALDH1A1
SCHEMBL3083726 0.83 HTT (0.41) HTTGAAKMT2ALMNAALDH1A1

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 272/4885KMT2A 1948/4885

“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.