SCHEMBL16893232

SCHEMBL16893232

O=C(O)N[C@@H]1CCCC(F)(F)C1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 7/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
EPHX2 P34913 3/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPT P10636 1/20 0.34
KDM4E B2RXH2 1/20 0.34
CYP3A4 P08684 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2B Q13224 1/20 0.34
MAPK8 P45983 1/20 0.34
JAK3 P52333 1/20 0.34
CETP P11597 1/20 0.33
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
CFD P00746 1/20 0.32
SCN9A Q15858 1/20 0.32
SCN10A Q9Y5Y9 1/20 0.32

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
SCHEMBL23573359 1.00 EPHX1 (0.34) EPHX1SMN1; SMN2EPHX2NPC1RAB9A
SCHEMBL15380009 1.00 EPHX1 (0.34) EPHX1SMN1; SMN2EPHX2NPC1RAB9A
SCHEMBL28473546 0.88 EPHX2 (0.41) EPHX2GRIN1GRIN2BJAK3CHRM2
SCHEMBL1705702 0.88 EPHX2 (0.41) EPHX2GRIN1GRIN2BJAK3CHRM2
SCHEMBL23573248 0.88 EPHX2 (0.41) EPHX2GRIN1GRIN2BJAK3CHRM2
SCHEMBL31348079 0.83 MAPK8 (0.38) EPHX1SMN1; SMN2EPHX2NPC1RAB9A
SCHEMBL15129467 0.79 APLNR (0.33) EPHX2POLB
SCHEMBL3053225 0.77 GRIN1 (0.40) EPHX1SMN1; SMN2EPHX2NPC1RAB9A
SCHEMBL1785584 0.77 GRIN1 (0.40) EPHX1SMN1; SMN2EPHX2NPC1RAB9A
SCHEMBL3044359 0.77 GRIN1 (0.40) EPHX1SMN1; SMN2EPHX2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210198239-A1 COMPOUNDS AND METHODS FOR CD73 MODULATION AND INDICATIONS THEREFOR PLEXXIKON INC. 2021-07-01 US disclosed
EP-2387315-B1 IMIDAZO[1,2-a]PYRIDINES AND IMIDAZO[1,2-b]PYRIDAZINES AS MARK INHIBITORS MERCK SHARP & DOHME (US) 2015-07-15 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-20210198239-A1 COMPOUNDS AND METHODS FOR CD73 MODULATION AND INDICATIONS THEREFOR ENTPD5, ADORA2A, ENTPD1 EPHX1 629/4885SMN1; SMN2 1090/4885EPHX2 959/4885

“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.