SCHEMBL1455949

SCHEMBL1455949

CN(CCNCC(=O)OC(C)(C)C)CC(=O)O

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MVD P53602 1/20 0.38
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
CA14 Q9ULX7 1/20 0.33
CTSK P43235 3/20 0.32
BHMT Q93088 1/20 0.31
SLC6A9 P48067 1/20 0.30
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
GAA P10253 1/20 0.30
LTA4H P09960 1/20 0.30
JAK3 P52333 1/20 0.30
BTK Q06187 1/20 0.30
MGLL Q99685 1/20 0.30

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
SCHEMBL19088336 0.83 MVD (0.41) MVDBHMTSLC6A9MEN1KMT2A
SCHEMBL25477299 0.81 MAOA (0.32) MAOAMAOB
SCHEMBL16158922 0.79 MVD (0.42) MVDBHMTSLC6A9LTA4H
SCHEMBL13427909 0.79 MAOA (0.36) MAOAMAOBCA14
SCHEMBL6536011 0.79 MAOA (0.36) MAOAMAOBCA14
SCHEMBL1455947 0.78 ALDH1A1 (0.40) MEN1KMT2ALTA4H
SCHEMBL3293560 0.78 MAOA (0.36) MAOAMAOBCA14CTSK
SCHEMBL1404486 0.78 MEN1 (0.49) MVDMAOAMAOBCA14CTSK
SCHEMBL30511042 0.78 FPR3 (0.38) MAOAMAOBCA14CTSK
SCHEMBL6535041 0.77 MAOA (0.44) MAOAMAOBCA14CTSKMEN1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1757609-B1 NOVEL WATER-SOLUBLE PRODRUG CHUGAI PHARMACEUTICAL CO LTD (JP) 2013-10-16 EP disclosed
US-8022047-B2 Combination anticancer agents CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2011-09-20 US disclosed
CN-101291675-B Novel anticancer concomitant drug CHUGAI PHARMACEUTICAL CO LTD 2011-04-13 CN disclosed
US-7910593-B2 Water-soluble prodrugs CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2011-03-22 US disclosed
US-20090149478-A1 NOVEL COMBINATION ANTICANCER AGENTS CHUGAI SEIYAKU KABUSHIKI KAISHA 2009-06-11 US disclosed
US-20090118271-A1 Preventive or Therapeutic Agents for Pancreatic Cancer, Ovarian Cancer, or Liver Cancer Comprising a Novel Water-Soluble Prodrug CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-05-07 US disclosed
CN-101291675-A Novel anticancer concomitant drug CHUGAI PHARMACEUTICAL CO LTD (JP) 2008-10-22 CN disclosed
EP-1938823-A1 AGENT FOR PREVENTING OR TREATING PANCREAS CANCER, OVARY CANCER OR LIVER CANCER CONTAINING NOVEL WATER-SOLUBLE PRODRUG CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2008-07-02 EP disclosed
EP-1925309-A1 NOVEL ANTICANCER CONCOMITANT DRUG CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2008-05-28 EP disclosed
US-20080015157-A1 Novel Water-Soluble Prodrugs CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2008-01-17 US disclosed
EP-1757609-A1 NOVEL WATER-SOLUBLE PRODRUG CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2007-02-28 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 (3 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-20090149478-A1 NOVEL COMBINATION ANTICANCER AGENTS KRAS, TOP1, ERBB3 MVD 3572/4885MAOA 1148/4885MAOB 1300/4885
US-20080015157-A1 Novel Water-Soluble Prodrugs ADH1A, ADH1C, SLC43A1 MVD 4073/4885MAOA 3137/4885MAOB 1867/4885
US-20090118271-A1 Preventive or Therapeutic Agents for Pancreatic Cancer, Ovarian Cancer, or Liver Cancer Comprising a Novel Water-Soluble Prodrug TP53, SLC10A1, BRCA1 MVD 4832/4885MAOA 3745/4885MAOB 3115/4885

“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.