SCHEMBL3090700

SCHEMBL3090700

CCOC(=O)C(Cc1cn[nH]c1)(C(=O)OCC)C(=O)OCC

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.43
NOS2 P35228 1/20 0.43
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
RECQL P46063 1/20 0.36
MMP8 P22894 1/20 0.36
KCNH2 Q12809 1/20 0.34
PIN1 Q13526 1/20 0.34
LMNA P02545 1/20 0.33
APEX1 P27695 1/20 0.33
PMP22 Q01453 1/20 0.33

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
SCHEMBL4394864 0.75 NOS2 (0.54) NAMPTNOS2KMT2A
SCHEMBL5806489 0.73 ALDH1A1 (0.62) ALDH1A1MEN1KMT2ARECQLMMP8
SCHEMBL4389817 0.72 CYP4F2 (0.54) NAMPTNOS2ALDH1A1LMNA
SCHEMBL3089291 0.72 ALDH1A1 (0.40) ALDH1A1MEN1KMT2ARECQLMMP8
Ethyl Acetate SCHEMBL28597398 0.71 ALDH1A1 (0.45) NAMPTNOS2ALDH1A1MEN1KMT2A
SCHEMBL3088265 0.71 KMT2A (0.43) ALDH1A1KMT2ARECQLMMP8LMNA
SCHEMBL14122635 0.70 ALDH1A1 (0.44) ALDH1A1RECQLMMP8PIN1LMNA
SCHEMBL3102952 0.70 MAPT (0.49) ALDH1A1MEN1KMT2ARECQLMMP8
SCHEMBL4762505 0.69 NOS2 (0.42) NAMPTNOS2KCNH2LMNAAPEX1
SCHEMBL30872565 0.69 NOS2 (0.44) NAMPTNOS2KCNH2LMNAPMP22

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 NAMPT 2385/4885NOS2 2370/4885ALDH1A1 617/4885

“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.