SCHEMBL3103809

SCHEMBL3103809

CCOC(=O)C(Cc1cnn(Cc2ccc(F)cc2F)c1)(C(=O)OCC)C(=O)OCC

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 5/20 0.46
ALDH1A1 P00352 4/20 0.44
TDP1 Q9NUW8 1/20 0.44
ADORA2B P29275 1/20 0.40
GRM2 Q14416 1/20 0.38
POLB P06746 2/20 0.37
HDAC1 Q13547 2/20 0.37
JAK3 P52333 1/20 0.37
TAS2R8 Q9NYW2 1/20 0.37
HDAC7 Q8WUI4 1/20 0.35
ALKBH1 Q13686 1/20 0.35
MAPT P10636 1/20 0.35
PKM P14618 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL3093292 0.87 ALDH1A1 (0.50) KLKB1ALDH1A1ADORA2BPOLBMAPT
SCHEMBL3100132 0.85 LMNA (0.48) ALDH1A1GRM2MAPTL3MBTL1
SCHEMBL3089096 0.81 KLKB1 (0.54) KLKB1ALDH1A1TDP1ADORA2BGRM2
SCHEMBL3097709 0.81 KLKB1 (0.45) KLKB1ALDH1A1TDP1ADORA2BPOLB
SCHEMBL13153129 0.79 KLKB1 (0.44) KLKB1ALDH1A1ADORA2BHDAC1JAK3
SCHEMBL3097061 0.78 ALDH1A1 (0.49) KLKB1ALDH1A1TDP1POLBPKM
SCHEMBL3093110 0.78 ALDH1A1 (0.47) KLKB1ALDH1A1TDP1ADORA2BMAPT
SCHEMBL15014141 0.78 ADORA2B (0.46) KLKB1ALDH1A1TDP1ADORA2BPOLB
SCHEMBL3088265 0.78 KMT2A (0.43) ALDH1A1POLBMAPTPKML3MBTL1
SCHEMBL3097754 0.78 HSD17B10 (0.44) KLKB1ALDH1A1MAPTL3MBTL1

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 KLKB1 1369/4885ALDH1A1 617/4885TDP1 4770/4885

“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.