SCHEMBL3093383

SCHEMBL3093383

CCOC(=O)C(Cc1nnnn1CC)(C(=O)OCC)C(=O)OCC

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.46
ALDH1A1 P00352 7/20 0.35
NPC1 O15118 5/20 0.35
RAB9A P51151 4/20 0.35
POLB P06746 1/20 0.35
APP P05067 2/20 0.35
LMNA P02545 2/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
FAAH O00519 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33
TP53 P04637 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4C Q9H3R0 1/20 0.32
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 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
SCHEMBL3088954 0.88 MAPK1 (0.40) MAPK1ALDH1A1NPC1RAB9AAPP
SCHEMBL18646759 0.78 MAPK1 (0.57) MAPK1ALDH1A1NPC1RAB9APOLB
SCHEMBL3100969 0.76 ALDH1A1 (0.51) ALDH1A1APPLMNAKMT2ATP53
SCHEMBL4406689 0.70 ALDH1A1 (0.44) MAPK1ALDH1A1NPC1RAB9APOLB
SCHEMBL443307 0.69 NPC1 (0.42) MAPK1ALDH1A1NPC1RAB9APOLB
SCHEMBL19302744 0.69 ALDH1A1 (0.40) MAPK1ALDH1A1NPC1RAB9APOLB
SCHEMBL12974375 0.69 MAPK1 (0.42) MAPK1ALDH1A1NPC1RAB9APOLB
SCHEMBL2056129 0.67
SCHEMBL28692281 0.67 NAALAD2 (0.42) MAPK1ALDH1A1NPC1RAB9APOLB
SCHEMBL3452952 0.66 MAPK1 (0.50) MAPK1ALDH1A1RAB9ASMN1; SMN2

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 MAPK1 457/4885ALDH1A1 617/4885NPC1 3306/4885

“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.