SCHEMBL387299

SCHEMBL387299

CC(N)(CCc1ccc(C#CCOc2cccc(C(F)(F)F)c2)o1)CCP(=O)(O)O

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.39
EGLN1 Q9GZT9 1/20 0.38
S1PR4 O95977 1/20 0.37
S1PR1 P21453 1/20 0.37
S1PR3 Q99500 1/20 0.37
S1PR5 Q9H228 1/20 0.37
MAOB P27338 1/20 0.35
AOC3 Q16853 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
RXFP1 Q9HBX9 1/20 0.33
ACP3 P15309 1/20 0.32
ALOX5 P09917 1/20 0.32
MRGPRX4 Q96LA9 1/20 0.32
LMNA P02545 1/20 0.32
PKM P14618 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CETP P11597 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
SCHEMBL385940 0.89 S1PR4 (0.43) EGLN1S1PR4S1PR1S1PR3S1PR5
SCHEMBL385953 0.89 EGLN1 (0.40) KDM4EEGLN1S1PR4S1PR1S1PR3
SCHEMBL386569 0.87 KDM4E (0.39) KDM4EEGLN1MAOBAOC3NPC1
SCHEMBL386037 0.85 KDM4E (0.40) KDM4EEGLN1MAOBAOC3NPC1
Oxalic Acid SCHEMBL386036 0.85 EGLN1 (0.41) KDM4EEGLN1MAOBAOC3NPC1
SCHEMBL383973 0.84 S1PR4 (0.41) KDM4ES1PR4S1PR1S1PR3S1PR5
SCHEMBL386328 0.83 ACP3 (0.39) S1PR4S1PR1S1PR3S1PR5NPC1
SCHEMBL387349 0.83 S1PR1 (0.45) EGLN1S1PR4S1PR1S1PR3S1PR5
SCHEMBL386197 0.82 S1PR4 (0.40) S1PR4S1PR1S1PR3S1PR5NPC1
SCHEMBL385562 0.82 S1PR1 (0.45) KDM4EEGLN1S1PR4S1PR1S1PR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8101650-B2 Method for treating a immunology-related disease DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-01-24 US disclosed
US-8067396-B2 Amino alcohol compounds or phosphonic acid derivatives thereof SANKYO COMPANY, LIMITED (JP) 2011-11-29 US disclosed
US-20100035842-A1 Amino alcohol compounds or phosphonic acid derivatives thereof SANKYO COMPANY, LIMITED (JP) 2010-02-11 US disclosed
US-20090326038-A1 Method for treating a immunology-related disease SANKYO COMPANY, LIMITED (JP) 2009-12-31 US disclosed
US-7638551-B2 Amino alcohol compounds or phosphonic acid derivatives thereof SANKYO COMPANY, LIMITED (JP) 2009-12-29 US disclosed
EP-1471054-B1 AMINO ALCOHOL DERIVATIVE OR PHOSPHONIC ACID DERIVATIVE AND MEDICINAL COMPOSITION CONTAINING THESE DAIICHI SANKYO CO LTD (JP) 2009-07-01 EP disclosed
US-20070142335-A1 Amino alcohol compounds or phosphonic acid derivatives thereof SANKYO COMPANY, LIMITED (JP) 2007-06-21 US disclosed
US-20070105933-A1 Amino alcohol compounds SANKYO COMPANY, LIMITED (JP) 2007-05-10 US disclosed
US-7199150-B2 Amino alcohol compounds SANKYO COMPANY, LIMITED (JP) 2007-04-03 US disclosed
US-20050043386-A1 Amino alcohol derivatives or phosphonic acid derivatives and pharmaceutical compositions containing these SANKYO COMPANY, LIMITED (JP) 2005-02-24 US disclosed
EP-1471054-A1 AMINO ALCOHOL DERIVATIVE OR PHOSPHONIC ACID DERIVATIVE AND MEDICINAL COMPOSITION CONTAINING THESE Sankyo Company, Limited (JP) 2004-10-27 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 (5 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-20050043386-A1 Amino alcohol derivatives or phosphonic acid derivatives and pharmaceutical compositions containing these PHOSPHO1, CD4, FCGRT KDM4E 2134/4885EGLN1 975/4885S1PR4 1110/4885
US-20090326038-A1 Method for treating a immunology-related disease C3AR1, HRH3, HRH2 KDM4E 1874/4885EGLN1 698/4885S1PR4 519/4885
US-20070105933-A1 Amino alcohol compounds ADH1C, C9, SSB KDM4E 2136/4885EGLN1 1057/4885S1PR4 1344/4885
US-20070142335-A1 Amino alcohol compounds or phosphonic acid derivatives thereof HRH3, C3AR1, HRH4 KDM4E 2748/4885EGLN1 2269/4885S1PR4 281/4885
US-20100035842-A1 Amino alcohol compounds or phosphonic acid derivatives thereof PHOSPHO1, ADH1C, ADH1A KDM4E 2823/4885EGLN1 1964/4885S1PR4 1542/4885

“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.