SCHEMBL3096063

SCHEMBL3096063

CCOC(=O)C(CC(=O)N1CCN(c2ccc(C#N)cn2)CC1)(C(=O)OCC)C(=O)OCC

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PANK3 Q9H999 9/20 0.58
HPGD P15428 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
PARP1 P09874 6/20 0.48
PARP2 Q9UGN5 3/20 0.48
TIPARP Q7Z3E1 4/20 0.46

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
SCHEMBL18386536 0.83 PANK3 (0.69) PANK3PARP1PARP2
SCHEMBL13181033 0.83 PANK3 (0.66) PANK3PARP1PARP2
SCHEMBL15014105 0.82 PANK3 (0.67) PANK3PARP1PARP2
SCHEMBL26291368 0.81 PANK3 (0.61) PANK3PARP1PARP2TIPARP
SCHEMBL21521210 0.81 PANK3 (0.66) PANK3PARP1PARP2
SCHEMBL26292117 0.80 PANK3 (0.62) PANK3PARP1PARP2TIPARP
SCHEMBL19748497 0.80 PANK3 (0.64) PANK3PARP1PARP2
SCHEMBL31464990 0.80 PANK3 (0.64) PANK3PARP1PARP2
SCHEMBL26291059 0.79 PANK3 (0.63) PANK3PARP1PARP2TIPARP
SCHEMBL21521835 0.77 PANK3 (0.64) PANK3PARP1PARP2

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 PANK3 2284/4885HPGD 1736/4885SMN1; SMN2 2844/4885

“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.