SCHEMBL3093137

SCHEMBL3093137

CCN(C(=O)C(Cc1cnn(Cc2ccccc2)c1)C(=O)NS(=O)(=O)C=Cc1ccccc1)c1cccc(CO)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
HDAC1 Q13547 1/20 0.33
F2 P00734 1/20 0.33
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
OPRK1 P41145 1/20 0.32
SCD O00767 4/20 0.32
SCD5 Q86SK9 4/20 0.32
HDAC2 Q92769 1/20 0.32
KAT7 O95251 1/20 0.32
KAT6B Q8WYB5 1/20 0.32
KAT6A Q92794 1/20 0.32
KAT5 Q92993 1/20 0.32
KAT8 Q9H7Z6 1/20 0.32
KLKB1 P03952 1/20 0.31
TARS1 P26639 1/20 0.31
ACACB O00763 1/20 0.31
KDM4E B2RXH2 1/20 0.31
PARG Q86W56 1/20 0.31
NR1H4 Q96RI1 1/20 0.31

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
SCHEMBL3093130 1.00 ALDH1A1 (0.34) ALDH1A1HDAC1F2OPRM1OPRD1
SCHEMBL3092554 0.93 HDAC2 (0.35) ALDH1A1HDAC1F2SCDSCD5
SCHEMBL3092559 0.93 HDAC2 (0.35) ALDH1A1HDAC1F2SCDSCD5
SCHEMBL3093150 0.92 ACACB (0.33) ALDH1A1HDAC1F2SCDSCD5
SCHEMBL3093156 0.92 ACACB (0.33) ALDH1A1HDAC1F2SCDSCD5
SCHEMBL3089454 0.92 POLB (0.39) ALDH1A1HDAC1F2OPRD1SCD
SCHEMBL3089448 0.92 POLB (0.39) ALDH1A1HDAC1F2OPRD1SCD
SCHEMBL3096719 0.90 SCD (0.34) ALDH1A1HDAC1F2SCDSCD5
SCHEMBL3096711 0.90 SCD (0.34) ALDH1A1HDAC1F2SCDSCD5
SCHEMBL3090828 0.89 TARS1 (0.35) ALDH1A1HDAC1F2HDAC2KLKB1

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 617/4885HDAC1 1764/4885F2 4128/4885

“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.