SCHEMBL387638

SCHEMBL387638

C[C@@](N)(CCc1ccc(C#CCCOc2ccccc2)o1)COC(=O)C(=O)OC[C@](C)(N)CCc1ccc(C#CCCOc2ccccc2)o1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.35
PPARA Q07869 2/20 0.35
PPARD Q03181 1/20 0.35
S1PR4 O95977 6/20 0.34
S1PR1 P21453 6/20 0.34
S1PR3 Q99500 6/20 0.34
S1PR5 Q9H228 5/20 0.34
NPC1 O15118 3/20 0.32
RAB9A P51151 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
KMT2A Q03164 1/20 0.32
RELA Q04206 1/20 0.32
HSD17B10 Q99714 1/20 0.32
THRB P10828 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
Oxalic Acid SCHEMBL387637 0.87 PPARG (0.36) PPARGPPARAPPARDS1PR4S1PR1
SCHEMBL387857 0.87 FFAR1 (0.36) KDM4EMEN1ALDH1A1KMT2APOLB
SCHEMBL386564 0.86 CXCR2 (0.37) ALDH1A1POLBRECQLTSHR
SCHEMBL386413 0.81 GRM5 (0.34) PPARAS1PR4S1PR1S1PR3S1PR5
SCHEMBL387569 0.81
SCHEMBL387198 0.80 ALDH1A1 (0.37) PPARANPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL387033 0.78 POLB (0.36) S1PR4S1PR1S1PR3S1PR5ALDH1A1
SCHEMBL386037 0.78 KDM4E (0.40) NPC1RAB9AKDM4EMEN1ALDH1A1
SCHEMBL387496 0.77 MAPT (0.40) NPC1RAB9ASMN1; SMN2KDM4EMEN1
SCHEMBL383604 0.77 S1PR4 (0.32) S1PR4S1PR1S1PR3S1PR5

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 PPARG 635/4885PPARA 173/4885PPARD 649/4885
US-20090326038-A1 Method for treating a immunology-related disease C3AR1, HRH3, HRH2 PPARG 2064/4885PPARA 2633/4885PPARD 2084/4885
US-20070105933-A1 Amino alcohol compounds ADH1C, C9, SSB PPARG 390/4885PPARA 510/4885PPARD 263/4885
US-20070142335-A1 Amino alcohol compounds or phosphonic acid derivatives thereof HRH3, C3AR1, HRH4 PPARG 205/4885PPARA 135/4885PPARD 193/4885
US-20100035842-A1 Amino alcohol compounds or phosphonic acid derivatives thereof PHOSPHO1, ADH1C, ADH1A PPARG 1748/4885PPARA 651/4885PPARD 772/4885

“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.