SCHEMBL386741

SCHEMBL386741

Cc1csc(CCCCC(=O)c2ccc(CCC(C)(N)CCP(=O)(O)O)s2)c1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
S1PR1 P21453 6/20 0.36
S1PR3 Q99500 5/20 0.36
S1PR5 Q9H228 2/20 0.36
S1PR4 O95977 2/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
PRNP P04156 1/20 0.36
RECQL P46063 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
HPGD P15428 1/20 0.34
S1PR2 O95136 1/20 0.30

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
SCHEMBL5165334 0.87 POLB (0.43) POLBTDP1ALDH1A1LMNAPRNP
SCHEMBL386650 0.87 S1PR1 (0.45) POLBTDP1S1PR1S1PR3S1PR5
SCHEMBL385213 0.87 S1PR1 (0.41) POLBTDP1S1PR1S1PR3S1PR5
SCHEMBL386347 0.86 S1PR1 (0.39) POLBTDP1S1PR1S1PR3S1PR5
SCHEMBL384427 0.85 S1PR1 (0.44) POLBTDP1S1PR1S1PR3S1PR5
SCHEMBL384024 0.84 FDPS (0.41) POLBTDP1S1PR1S1PR3S1PR5
SCHEMBL387028 0.83 S1PR1 (0.40) POLBTDP1S1PR1S1PR3S1PR5
SCHEMBL383831 0.82 S1PR4 (0.43) POLBTDP1S1PR1S1PR3S1PR5
SCHEMBL386765 0.82 S1PR1 (0.39) POLBTDP1S1PR1S1PR3S1PR5
SCHEMBL385787 0.82 S1PR1 (0.39) POLBTDP1S1PR1S1PR3S1PR5

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 POLB 2164/4885TDP1 3885/4885S1PR1 257/4885
US-20090326038-A1 Method for treating a immunology-related disease C3AR1, HRH3, HRH2 POLB 4236/4885TDP1 4400/4885S1PR1 159/4885
US-20070105933-A1 Amino alcohol compounds ADH1C, C9, SSB POLB 2273/4885TDP1 3739/4885S1PR1 465/4885
US-20070142335-A1 Amino alcohol compounds or phosphonic acid derivatives thereof HRH3, C3AR1, HRH4 POLB 1738/4885TDP1 3799/4885S1PR1 70/4885
US-20100035842-A1 Amino alcohol compounds or phosphonic acid derivatives thereof PHOSPHO1, ADH1C, ADH1A POLB 1476/4885TDP1 3477/4885S1PR1 593/4885

“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.