SCHEMBL1455952

SCHEMBL1455952

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

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MVD P53602 1/20 0.38
GBA1 P04062 1/20 0.36
CA14 Q9ULX7 1/20 0.36
PDK2 Q15119 1/20 0.35
BHMT Q93088 1/20 0.34
SLC6A9 P48067 6/20 0.34
LTA4H P09960 1/20 0.33
HDAC6 Q9UBN7 2/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
CACNA1G O43497 1/20 0.32
CACNA1B Q00975 1/20 0.32
CACNA1C Q13936 1/20 0.32
CTSK P43235 1/20 0.32
METAP2 P50579 1/20 0.31
EYA2 O00167 1/20 0.31
APP P05067 1/20 0.31
ACE P12821 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL25129557 0.98 MVD (0.37) MVDGBA1CA14PDK2BHMT
SCHEMBL19865535 0.85 GBA1 (0.35) GBA1CA14PDK2HDAC6HDAC1
SCHEMBL10260946 0.84 HDAC6 (0.40) GBA1CA14PDK2HDAC6HDAC1
SCHEMBL336495 0.83 HDAC6 (0.37) MVDGBA1CA14PDK2HDAC6
SCHEMBL18257000 0.81 CA14 (0.42) GBA1CA14PDK2HDAC6HDAC1
SCHEMBL21871862 0.81 GBA1 (0.35) GBA1CA14PDK2HDAC6HDAC1
SCHEMBL25479216 0.81 CA14 (0.42) GBA1CA14PDK2HDAC6HDAC1
SCHEMBL7783463 0.81 HDAC6 (0.38) GBA1CA14PDK2HDAC6HDAC1
SCHEMBL20762898 0.81 GBA1 (0.39) GBA1CA14PDK2HDAC6HDAC1
Ammonia Solution, Strong SCHEMBL29062672 0.81 HDAC6 (0.36) MVDGBA1CA14PDK2HDAC6

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 28 patents — showing the first 20. 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
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
US-8022047-B2 Combination anticancer agents CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2011-09-20 US disclosed
US-8022047-B2 Combination anticancer agents CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2011-09-20 US disclosed
CN-1964979-B Novel water-soluble prodrug CHUGAI PHARMACEUTICAL CO LTD 2011-07-27 CN 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-7910593-B2 Water-soluble prodrugs CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2011-03-22 US disclosed
US-7910593-B2 Water-soluble prodrugs CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2011-03-22 US 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-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
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
US-20080015157-A1 Novel Water-Soluble Prodrugs CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2008-01-17 US disclosed
US-20080015157-A1 Novel Water-Soluble Prodrugs CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2008-01-17 US disclosed
CN-1964979-A Novel water-soluble prodrug CHUGAI PHARMACEUTICAL CO LTD (JP) 2007-05-16 CN disclosed
EP-1757609-A1 NOVEL WATER-SOLUBLE PRODRUG CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2007-02-28 EP 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 (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-20080015157-A1 Novel Water-Soluble Prodrugs ADH1A, ADH1C, SLC43A1 MVD 4073/4885GBA1 460/4885CA14 1053/4885

“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.