SCHEMBL386037

SCHEMBL386037

C[C@@](N)(CCc1ccc(C#CCOc2cccc(C(F)(F)F)c2)o1)COC(=O)C(=O)OC[C@](C)(N)CCc1ccc(C#CCOc2cccc(C(F)(F)F)c2)o1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.40
EGLN1 Q9GZT9 1/20 0.39
MAOB P27338 2/20 0.35
AOC3 Q16853 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.34
NPC1 O15118 3/20 0.34
RAB9A P51151 2/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
ATM Q13315 1/20 0.34
ALDH1A1 P00352 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33

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
SCHEMBL386569 0.88 KDM4E (0.39) KDM4EEGLN1MAOBAOC3MRGPRX4
SCHEMBL385953 0.88 EGLN1 (0.40) KDM4EEGLN1MAOBAOC3NPC1
Oxalic Acid SCHEMBL386036 0.88 EGLN1 (0.41) KDM4EEGLN1MAOBAOC3MRGPRX4
SCHEMBL387299 0.85 KDM4E (0.39) KDM4EEGLN1MAOBAOC3MRGPRX4
SCHEMBL386641 0.84 HTR2B (0.39) KDM4EKMT2AMEN1ALDH1A1
SCHEMBL387496 0.84 MAPT (0.40) KDM4ENPC1RAB9AKMT2AMEN1
SCHEMBL386413 0.82 GRM5 (0.34) KDM4EEGLN1NPC1RAB9AKMT2A
SCHEMBL387320 0.82 MEN1 (0.32) KDM4ENPC1RAB9AKMT2AMEN1
SCHEMBL387198 0.82 ALDH1A1 (0.37) KDM4EEGLN1NPC1RAB9AKMT2A
SCHEMBL387638 0.78 PPARG (0.35) KDM4ENPC1RAB9AKMT2AMEN1

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 9 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
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 (4 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-20090326038-A1 Method for treating a immunology-related disease C3AR1, HRH3, HRH2 KDM4E 1874/4885EGLN1 698/4885MAOB 1852/4885
US-20070105933-A1 Amino alcohol compounds ADH1C, C9, SSB KDM4E 2136/4885EGLN1 1057/4885MAOB 1482/4885
US-20070142335-A1 Amino alcohol compounds or phosphonic acid derivatives thereof HRH3, C3AR1, HRH4 KDM4E 2748/4885EGLN1 2269/4885MAOB 3146/4885
US-20100035842-A1 Amino alcohol compounds or phosphonic acid derivatives thereof PHOSPHO1, ADH1C, ADH1A KDM4E 2823/4885EGLN1 1964/4885MAOB 2006/4885

“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.