SCHEMBL385747

SCHEMBL385747

CC(N)(CCc1ccc(C(=O)CCCCc2cccc(C(F)(F)F)c2)s1)CCP(=O)(O)O

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 1/20 0.40
HDAC1 Q13547 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
TDP1 Q9NUW8 2/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
PTGER4 P35408 2/20 0.37
EPHX1 P07099 4/20 0.36
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
AURKA O14965 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
EPHX2 P34913 1/20 0.35
POLB P06746 1/20 0.35
ABL1 P00519 1/20 0.35

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
SCHEMBL386396 0.92 S1PR1 (0.38) TDP1KMT2APTGER4S1PR4S1PR1
SCHEMBL387153 0.89 S1PR1 (0.37) TDP1S1PR4S1PR1S1PR3S1PR5
SCHEMBL386968 0.89 S1PR1 (0.42) HDAC1HDAC8TDP1S1PR4S1PR1
SCHEMBL384024 0.88 FDPS (0.41) HDAC1HDAC8TDP1MAPTGRM2
SCHEMBL387291 0.88 S1PR1 (0.40) TDP1S1PR4S1PR1S1PR3S1PR5
SCHEMBL6310783 0.88 HDAC1 (0.42) HDAC1HDAC8TDP1MAPTKMT2A
SCHEMBL380170 0.88 S1PR1 (0.43) ACP3HDAC1HDAC8TDP1MAPT
SCHEMBL385598 0.87 NAAA (0.38) TDP1GRM2GRM3S1PR4S1PR1
SCHEMBL383831 0.87 S1PR4 (0.43) TDP1S1PR4S1PR1S1PR3S1PR5
SCHEMBL386055 0.86 S1PR1 (0.37) TDP1MAPTKMT2AS1PR4S1PR1

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 1037/4885HDAC1 2849/4885HDAC8 4198/4885
US-20090326038-A1 Method for treating a immunology-related disease C3AR1, HRH3, HRH2 ACP3 2803/4885HDAC1 1486/4885HDAC8 2344/4885
US-20070105933-A1 Amino alcohol compounds ADH1C, C9, SSB ACP3 2334/4885HDAC1 2360/4885HDAC8 3773/4885
US-20070142335-A1 Amino alcohol compounds or phosphonic acid derivatives thereof HRH3, C3AR1, HRH4 ACP3 350/4885HDAC1 1903/4885HDAC8 3144/4885
US-20100035842-A1 Amino alcohol compounds or phosphonic acid derivatives thereof PHOSPHO1, ADH1C, ADH1A ACP3 797/4885HDAC1 3229/4885HDAC8 4115/4885

“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.