SCHEMBL3093471

SCHEMBL3093471

CCOC(=O)C(Cc1nnnn1C1CCCCC1)(C(=O)OCC)C(=O)OCC

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.46
MAPT P10636 3/20 0.46
TP53 P04637 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.42
LMNA P02545 3/20 0.42
TSHR P16473 3/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
USP2 O75604 2/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
GAA P10253 1/20 0.38
RECQL P46063 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL3002913 0.79 ALDH1A1 (0.47) ALDH1A1MAPTTP53L3MBTL1LMNA
SCHEMBL27808986 0.78 ALDH1A1 (0.46) ALDH1A1MAPTTP53L3MBTL1LMNA
SCHEMBL3093383 0.76 MAPK1 (0.46) ALDH1A1TP53LMNANPSR1MEN1
SCHEMBL3088954 0.76 MAPK1 (0.40) ALDH1A1MAPTTSHRNPSR1MEN1
SCHEMBL13153223 0.75 ALDH1A1 (0.58) ALDH1A1MAPTTP53L3MBTL1LMNA
SCHEMBL18386566 0.74 ALDH1A1 (0.54) ALDH1A1MAPTTP53L3MBTL1LMNA
SCHEMBL15014082 0.73 ALDH1A1 (0.63) ALDH1A1MAPTTP53L3MBTL1LMNA
SCHEMBL10683958 0.72 ALDH1A1 (0.45) ALDH1A1MAPTTP53L3MBTL1LMNA
SCHEMBL10677175 0.72 ALDH1A1 (0.45) ALDH1A1MAPTTP53L3MBTL1LMNA
SCHEMBL3300574 0.71 L3MBTL1 (0.58) ALDH1A1MAPTTP53L3MBTL1TSHR

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 617/4885MAPT 2813/4885TP53 3377/4885

“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.