SCHEMBL3093208

SCHEMBL3093208

CCOC(=O)c1cccc(N(CC)C(=O)C(Cc2cnn(Cc3ccccc3)c2)C(=O)NS(=O)(=O)/C=C/c2ccccc2)c1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
PPARG P37231 1/20 0.37
RRM1 P23921 1/20 0.36
MAPT P10636 6/20 0.34
TP53 P04637 2/20 0.34
KDM4E B2RXH2 1/20 0.33
LMNA P02545 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
KLKB1 P03952 1/20 0.32
F2 P00734 1/20 0.32
THRB P10828 1/20 0.32
MEP1B Q16820 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
OPRK1 P41145 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
SCHEMBL3093217 1.00 ALDH1A1 (0.38) ALDH1A1PPARGRRM1MAPTTP53
SCHEMBL3084867 0.92 PPARG (0.42) ALDH1A1PPARGRRM1MAPTTP53
SCHEMBL3084865 0.92 PPARG (0.42) ALDH1A1PPARGRRM1MAPTTP53
SCHEMBL3089454 0.92 POLB (0.39) ALDH1A1PPARGKDM4EF2OPRD1
SCHEMBL3089448 0.92 POLB (0.39) ALDH1A1PPARGKDM4EF2OPRD1
SCHEMBL3092559 0.89 HDAC2 (0.35) ALDH1A1LMNAF2
SCHEMBL3092554 0.89 HDAC2 (0.35) ALDH1A1LMNAF2
SCHEMBL3093137 0.89 ALDH1A1 (0.34) ALDH1A1KDM4EKLKB1F2OPRM1
SCHEMBL3093130 0.89 ALDH1A1 (0.34) ALDH1A1KDM4EKLKB1F2OPRM1
SCHEMBL3096719 0.86 SCD (0.34) ALDH1A1KLKB1F2

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 ALDH1A1 617/4885PPARG 136/4885RRM1 1961/4885

“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.