SCHEMBL3083822

SCHEMBL3083822

COCCC(C(=O)NS(=O)(=O)/C=C/c1ccccc1)C(=O)N(c1ccc(F)cc1)C(C)C

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.40
KMT2A Q03164 1/20 0.40
HTT P42858 2/20 0.39
TRPM8 Q7Z2W7 1/20 0.38
ALDH1A1 P00352 5/20 0.38
LMNA P02545 2/20 0.38
GAA P10253 3/20 0.37
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35
SCN9A Q15858 1/20 0.35
NR1H4 Q96RI1 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
POLB P06746 2/20 0.34
OPRM1 P35372 1/20 0.34
OPRL1 P41146 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
SCHEMBL3083824 1.00 PKM (0.40) PKMKMT2AHTTTRPM8ALDH1A1
SCHEMBL3096001 0.90 KMT2A (0.42) PKMKMT2AHTTTRPM8ALDH1A1
SCHEMBL3095994 0.90 KMT2A (0.42) PKMKMT2AHTTTRPM8ALDH1A1
SCHEMBL3092120 0.90 KMT2A (0.42) PKMKMT2AHTTTRPM8ALDH1A1
SCHEMBL3096272 0.88 KMT2A (0.41) PKMKMT2AHTTTRPM8ALDH1A1
SCHEMBL3096277 0.88 KMT2A (0.41) PKMKMT2AHTTTRPM8ALDH1A1
SCHEMBL3099978 0.87 KMT2A (0.40) PKMKMT2AHTTTRPM8ALDH1A1
SCHEMBL3096921 0.87 GAA (0.51) PKMKMT2AHTTTRPM8ALDH1A1
SCHEMBL3099972 0.87 KMT2A (0.40) PKMKMT2AHTTTRPM8ALDH1A1
SCHEMBL3096914 0.87 GAA (0.51) PKMKMT2AHTTTRPM8ALDH1A1

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 1948/4885HTT 2793/4885

“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.