SCHEMBL2593643

SCHEMBL2593643

CCOCn1ccc2c(C(=O)OC)cccc21

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 3/20 0.53
LMNA P02545 5/20 0.50
GAA P10253 1/20 0.48
CNR1 P21554 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.43
TSHR P16473 1/20 0.43
MAPT P10636 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
HSD17B10 Q99714 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
NR3C2 P08235 1/20 0.41
POLB P06746 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL7494500 0.87 NR4A2 (0.51) NR4A2LMNAGAACNR1L3MBTL1
SCHEMBL2586397 0.86 MCL1 (0.41) NR4A2LMNAL3MBTL1MAPTKMT2A
SCHEMBL13824516 0.86 NR4A2 (0.67) NR4A2LMNAGAACNR1L3MBTL1
SCHEMBL15999018 0.81 NR4A2 (0.52) NR4A2LMNAGAACNR1L3MBTL1
SCHEMBL15987501 0.81 GAA (0.53) NR4A2LMNAGAACNR1L3MBTL1
SCHEMBL1586664 0.81 NR4A2 (0.52) NR4A2LMNAGAACNR1L3MBTL1
SCHEMBL1586684 0.81 GCGR (0.51) NR4A2LMNAGAACNR1L3MBTL1
SCHEMBL2590967 0.80 CNR2 (0.45) CNR1L3MBTL1TSHRKMT2AMEN1
SCHEMBL2038160 0.80 CNR2 (0.53) NR4A2LMNAGAACNR1L3MBTL1
SCHEMBL701030 0.78 NR4A2 (0.53) NR4A2LMNAGAACNR1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2563774-B1 PYRIMIDINYL INDOLE COMPOUNDS HUTCHISON MEDIPHARMA LTD (CN) 2014-03-12 EP disclosed
US-8501166-B2 Pyrimidinyl indole compounds HUTCHISON MEDIPHARMA LIMITED (CN) 2013-08-06 US disclosed
US-20130058892-A1 PYRIMIDINYL INDOLE COMPOUNDS HUTCHISON MEDIPHARMA LIMITED (CN) 2013-03-07 US disclosed
EP-2563774-A1 PYRIMIDINYL INDOLE COMPOUNDS Hutchison Medipharma Limited (CN) 2013-03-06 EP disclosed
WO-2011134140-A1 PYRIMIDINYL INDOLE COMPOUNDS HUTCHISON MEDIPHARMA LIMITED (CN) 2011-11-03 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 (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-20130058892-A1 PYRIMIDINYL INDOLE COMPOUNDS NFKBIA, JAK2, IRF3 NR4A2 824/4885LMNA 4435/4885GAA 3853/4885

“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.