SCHEMBL3092372

SCHEMBL3092372

CCOC(=O)C(Cc1cnn(C(=O)OC(C)(C)C)c1)(C(=O)OCC)C(=O)OCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 2/20 0.36
ROCK2 O75116 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SCD O00767 1/20 0.35
MMP8 P22894 1/20 0.33
LMNA P02545 2/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MGLL Q99685 1/20 0.33
PTPRB P23467 1/20 0.32
CRHBP P24387 1/20 0.32
CRHR2 Q13324 1/20 0.32
CACNA1B Q00975 1/20 0.32
TP53 P04637 1/20 0.32
POLB P06746 1/20 0.32
THRB P10828 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
SCHEMBL18617132 0.81 ROCK2 (0.41) GPR119ROCK2L3MBTL1SCDLMNA
SCHEMBL3089291 0.78 ALDH1A1 (0.40) L3MBTL1MMP8MEN1ALDH1A1GAA
SCHEMBL21121081 0.78 ROCK2 (0.41) GPR119ROCK2SCDALDH1A1MGLL
SCHEMBL1844348 0.78 ROCK2 (0.41) GPR119ROCK2L3MBTL1SCDALDH1A1
SCHEMBL3088265 0.77 KMT2A (0.43) L3MBTL1MMP8LMNAALDH1A1GAA
SCHEMBL429428 0.76 ROCK2 (0.43) GPR119ROCK2L3MBTL1SCDALDH1A1
SCHEMBL13354632 0.76 GABRA1 (0.43) GPR119ROCK2SCDALDH1A1MGLL
SCHEMBL1843388 0.76 ROCK2 (0.41) GPR119ROCK2L3MBTL1SCDLMNA
SCHEMBL2546394 0.75 ROCK2 (0.40) GPR119ROCK2SCDMEN1ALDH1A1
SCHEMBL23703179 0.74 ROCK2 (0.41) GPR119ROCK2SCDMEN1ALDH1A1

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 GPR119 41/4885ROCK2 3173/4885L3MBTL1 4273/4885

“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.