SCHEMBL1438352

SCHEMBL1438352

CCOC(=O)COc1cccc(N2CCOC([C@@H](OC(C)=O)C(=O)O)C2=O)c1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 5/20 0.39
KDM4E B2RXH2 4/20 0.39
GAA P10253 4/20 0.39
HPGD P15428 4/20 0.39
CASP1 P29466 2/20 0.39
HSD17B10 Q99714 2/20 0.39
ATM Q13315 2/20 0.38
MAPT P10636 2/20 0.38
CNR1 P21554 1/20 0.38
PPARA Q07869 2/20 0.38
PPARG P37231 1/20 0.38
F9 P00740 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
NOTUM Q6P988 1/20 0.34

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
SCHEMBL1438345 1.00 MEN1 (0.39) MEN1KMT2AALDH1A1KDM4EGAA
SCHEMBL1438462 1.00 MEN1 (0.39) MEN1KMT2AALDH1A1KDM4EGAA
SCHEMBL1438469 1.00 MEN1 (0.39) MEN1KMT2AALDH1A1KDM4EGAA
SCHEMBL7895685 0.92 ALDH1A1 (0.37) MEN1KMT2AALDH1A1KDM4EGAA
SCHEMBL1947667 0.87 F9 (0.42) MEN1KMT2AALDH1A1KDM4EGAA
SCHEMBL1947669 0.87 F9 (0.42) MEN1KMT2AALDH1A1KDM4EGAA
SCHEMBL12546845 0.86 F9 (0.42) MEN1KMT2AALDH1A1KDM4EGAA
SCHEMBL7902918 0.85 F9 (0.43) MEN1KMT2AALDH1A1KDM4EGAA
SCHEMBL1946645 0.85 NAAA (0.46) KMT2AALDH1A1KDM4EGAAMAPT
SCHEMBL1946706 0.85 NAAA (0.46) KMT2AALDH1A1KDM4EGAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2373634-B1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MOCHIDA PHARM CO LTD (JP) 2015-11-11 EP disclosed
US-8987242-B2 Morpholinone compounds as factor IXA inhibitors MERCK SHARP & DOHME CORP. (US) 2015-03-24 US disclosed
US-8642582-B2 Morpholinone compounds as factor IXa inhibitors MERCK SHARP & DOHME CORP. (US) 2014-02-04 US disclosed
EP-2473491-B1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MOCHIDA PHARM CO LTD (JP) 2013-07-17 EP disclosed
EP-2473491-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS Mochida Pharmaceutical Co., Ltd. (JP) 2012-07-11 EP disclosed
US-20110135650-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2011-06-09 US disclosed
US-20110059958-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2011-03-10 US disclosed
WO-2011025565-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2011-03-03 WO 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 (2 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-20110135650-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS SERPINC1, F9, F8 MEN1 348/4885KMT2A 1610/4885ALDH1A1 2444/4885
US-20110059958-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS SERPINC1, F9, F8 MEN1 348/4885KMT2A 1610/4885ALDH1A1 2444/4885

“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.