SCHEMBL387198

SCHEMBL387198

C[C@@](N)(CCc1ccc(C#CCOc2ccc(Cl)cc2)o1)COC(=O)C(=O)OC[C@](C)(N)CCc1ccc(C#CCOc2ccc(Cl)cc2)o1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.37
RAB9A P51151 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
KCNH2 Q12809 1/20 0.36
GRM5 P41594 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
KDM4E B2RXH2 4/20 0.34
EGLN1 Q9GZT9 3/20 0.34
TDP1 Q9NUW8 2/20 0.34
EGLN3 Q9H6Z9 1/20 0.34
PPARA Q07869 1/20 0.31
ALOX5 P09917 1/20 0.31
HRH1 P35367 1/20 0.31
NPC1 O15118 1/20 0.31

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
SCHEMBL386413 0.91 GRM5 (0.34) ALDH1A1RAB9AMEN1KMT2AKCNH2
SCHEMBL384086 0.87 KCNH2 (0.39) ALDH1A1RAB9AMEN1KMT2AKCNH2
SCHEMBL386545 0.87 KCNH2 (0.39) ALDH1A1RAB9AMEN1KMT2AKCNH2
SCHEMBL387496 0.87 MAPT (0.40) ALDH1A1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL386064 0.87 S1PR1 (0.46) ALDH1A1RAB9AMEN1KMT2AKCNH2
Oxalic Acid SCHEMBL387197 0.86 ALDH1A1 (0.44) ALDH1A1RAB9AMEN1KMT2AKCNH2
SCHEMBL387320 0.85 MEN1 (0.32) ALDH1A1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL387033 0.84 POLB (0.36) ALDH1A1ALOX5HRH1
SCHEMBL385562 0.83 S1PR1 (0.45) ALDH1A1RAB9AMEN1KMT2AKCNH2
SCHEMBL386037 0.82 KDM4E (0.40) ALDH1A1RAB9AMEN1KMT2AKDM4E

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 ALDH1A1 945/4885RAB9A 1886/4885MEN1 1065/4885
US-20090326038-A1 Method for treating a immunology-related disease C3AR1, HRH3, HRH2 ALDH1A1 2821/4885RAB9A 2460/4885MEN1 307/4885
US-20070105933-A1 Amino alcohol compounds ADH1C, C9, SSB ALDH1A1 582/4885RAB9A 2503/4885MEN1 1067/4885
US-20070142335-A1 Amino alcohol compounds or phosphonic acid derivatives thereof HRH3, C3AR1, HRH4 ALDH1A1 1443/4885RAB9A 1873/4885MEN1 1225/4885
US-20100035842-A1 Amino alcohol compounds or phosphonic acid derivatives thereof PHOSPHO1, ADH1C, ADH1A ALDH1A1 898/4885RAB9A 919/4885MEN1 940/4885

“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.