SCHEMBL6519394

SCHEMBL6519394

O=C(O)[C@H](O)[C@@H](O)C(=O)N(CCCl)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 7/20 0.44
GCGR P47871 1/20 0.38
GIPR P48546 1/20 0.38
GRIK1 P39086 1/20 0.37
GRIK2 Q13002 1/20 0.37
CETP P11597 1/20 0.37
TOP2A P11388 1/20 0.36
TOP2B Q02880 1/20 0.36
EPHX2 P34913 1/20 0.35
EPHX1 P07099 1/20 0.35
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 1/20 0.35
FPR2 P25090 1/20 0.35
ATM Q13315 1/20 0.35
GPR88 Q9GZN0 1/20 0.35

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
SCHEMBL1949099 0.86 SERPINE1 (0.38) SERPINE1GCGRGIPRCETPTOP2A
SCHEMBL6520843 0.83 MLYCD (0.40) GRIK1GRIK2
SCHEMBL6517580 0.81 BCL2A1 (0.41)
SCHEMBL2477346 0.81 KMT2A (0.42)
SCHEMBL6521794 0.81 KMT2A (0.41)
SCHEMBL6526993 0.80 SERPINE1 (0.40) SERPINE1GCGRGIPRTOP2ATOP2B
SCHEMBL1949103 0.79 SERPINE1 (0.39) SERPINE1GCGRGIPRCETPTOP2A
SCHEMBL6521363 0.79 CYP3A4 (0.38) KEAP1NFE2L2
SCHEMBL6525038 0.78 MLYCD (0.38)
SCHEMBL2483257 0.75 SERPINE1 (0.38) SERPINE1TOP2ATOP2BEPHX1GPR88

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20110059958-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2011-03-10 US 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-20110059958-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS SERPINC1, F9, F8 SERPINE1 11/4885GCGR 4246/4885GIPR 4717/4885

“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.