SCHEMBL386328

SCHEMBL386328

CC(N)(CCc1ccc(C#CCCCc2cccc(C(F)(F)F)c2)o1)CCP(=O)(O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 2/20 0.39
HTR2B P41595 1/20 0.37
GRM2 Q14416 1/20 0.36
GRM3 Q14832 1/20 0.36
S1PR4 O95977 1/20 0.36
S1PR1 P21453 1/20 0.36
S1PR3 Q99500 1/20 0.36
S1PR5 Q9H228 1/20 0.36
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
TAAR1 Q96RJ0 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
EPHX1 P07099 5/20 0.33
NR3C2 P08235 1/20 0.33
PGK1 P00558 1/20 0.32
PGK2 P07205 1/20 0.32
RAB9A P51151 2/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL385583 0.88 S1PR1 (0.38) ACP3HTR2BGRM2GRM3S1PR4
SCHEMBL387731 0.87 HTR2B (0.38) HTR2BGRM2GRM3MAPTKMT2A
SCHEMBL383514 0.87 S1PR4 (0.42) S1PR4S1PR1S1PR3S1PR5
Oxalic Acid SCHEMBL386640 0.85 GRM2 (0.40) HTR2BGRM2GRM3S1PR1S1PR5
SCHEMBL386641 0.84 HTR2B (0.39) HTR2BGRM2GRM3MAPTKMT2A
SCHEMBL387299 0.83 KDM4E (0.39) ACP3S1PR4S1PR1S1PR3S1PR5
SCHEMBL385890 0.82 S1PR1 (0.43) S1PR4S1PR1S1PR3S1PR5MAPT
SCHEMBL385940 0.78 S1PR4 (0.43) S1PR4S1PR1S1PR3S1PR5RAB9A
SCHEMBL383320 0.76 S1PR4 (0.38) S1PR4S1PR1S1PR3S1PR5
SCHEMBL385366 0.74 S1PR1 (0.45) 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 ACP3 1037/4885HTR2B 3103/4885GRM2 1651/4885
US-20090326038-A1 Method for treating a immunology-related disease C3AR1, HRH3, HRH2 ACP3 2803/4885HTR2B 2165/4885GRM2 912/4885
US-20070105933-A1 Amino alcohol compounds ADH1C, C9, SSB ACP3 2334/4885HTR2B 1699/4885GRM2 2543/4885
US-20070142335-A1 Amino alcohol compounds or phosphonic acid derivatives thereof HRH3, C3AR1, HRH4 ACP3 350/4885HTR2B 3095/4885GRM2 1656/4885
US-20100035842-A1 Amino alcohol compounds or phosphonic acid derivatives thereof PHOSPHO1, ADH1C, ADH1A ACP3 797/4885HTR2B 1305/4885GRM2 891/4885

“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.