SCHEMBL3100452

SCHEMBL3100452

C=CCC(C(=O)NS(=O)(=O)C=Cc1ccccc1)C(=O)N(CC)c1ccc(-c2ccc(F)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.39
KMT2A Q03164 1/20 0.39
PTGES2 Q9H7Z7 2/20 0.36
SCN9A Q15858 1/20 0.36
HTT P42858 1/20 0.36
OPRM1 P35372 1/20 0.35
OPRL1 P41146 1/20 0.35
GAA P10253 2/20 0.34
CNR2 P34972 1/20 0.34
TARS1 P26639 3/20 0.34
CTNNB1 P35222 2/20 0.33
TCF7L2 Q9NQB0 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
NR1H4 Q96RI1 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
SCHEMBL3096360 0.97 KMT2A (0.41) PKMKMT2ASCN9AHTTOPRM1
SCHEMBL3096349 0.97 KMT2A (0.41) PKMKMT2ASCN9AHTTOPRM1
SCHEMBL3083726 0.91 HTT (0.41) KMT2AHTTGAACNR2TARS1
SCHEMBL3083728 0.91 HTT (0.41) KMT2AHTTGAACNR2TARS1
SCHEMBL3093342 0.88 OPRM1 (0.41) PKMKMT2AHTTOPRM1OPRL1
SCHEMBL3093352 0.88 OPRM1 (0.41) PKMKMT2AHTTOPRM1OPRL1
SCHEMBL3086056 0.88 HTT (0.38) HTTGAACNR2TARS1NOS2
SCHEMBL3086055 0.88 HTT (0.38) HTTGAACNR2TARS1NOS2
SCHEMBL3097145 0.88 PKM (0.38) PKMKMT2ASCN9AHTTOPRM1
SCHEMBL3097057 0.88 NOS3 (0.36) PTGES2HTTGAACNR2NOS3

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 PKM 1468/4885KMT2A 1948/4885PTGES2 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.