SCHEMBL386315

SCHEMBL386315

COc1cccc(CCCCC(=O)c2ccc(CCC(C)(N)CCP(=O)(O)O)s2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
S1PR4 O95977 1/20 0.40
S1PR1 P21453 1/20 0.40
S1PR3 Q99500 1/20 0.40
S1PR5 Q9H228 1/20 0.40
FAAH O00519 1/20 0.39
MTNR1A P48039 2/20 0.39
MTNR1B P49286 2/20 0.39
HSD17B2 P37059 3/20 0.38
GRM2 Q14416 1/20 0.38
GRM3 Q14832 1/20 0.38
PTGER4 P35408 1/20 0.37
PTGER2 P43116 1/20 0.37
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
ADORA3 P0DMS8 1/20 0.35
MAOB P27338 1/20 0.35
ADORA2A P29274 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
SCHEMBL387627 0.92 S1PR1 (0.42) HDAC1HDAC6S1PR4S1PR1S1PR3
SCHEMBL386392 0.89 S1PR1 (0.49) HDAC6S1PR4S1PR1S1PR3S1PR5
SCHEMBL386325 0.89 S1PR1 (0.43) HDAC1HDAC6S1PR4S1PR1S1PR3
SCHEMBL1363561 0.88 S1PR4 (0.45) S1PR4S1PR1S1PR3S1PR5MTNR1A
SCHEMBL384024 0.88 FDPS (0.41) HDAC1HDAC6S1PR4S1PR1S1PR3
SCHEMBL5168050 0.88 HDAC1 (0.47) HDAC1HDAC6FAAHMTNR1AMTNR1B
SCHEMBL385598 0.87 NAAA (0.38) S1PR4S1PR1S1PR3S1PR5FAAH
SCHEMBL387153 0.87 S1PR1 (0.37) S1PR4S1PR1S1PR3S1PR5FAAH
SCHEMBL383831 0.87 S1PR4 (0.43) S1PR4S1PR1S1PR3S1PR5FAAH
SCHEMBL386055 0.86 S1PR1 (0.37) S1PR4S1PR1S1PR3S1PR5FAAH

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 10 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-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 (4 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 HDAC1 2849/4885HDAC6 4391/4885S1PR4 1110/4885
US-20090326038-A1 Method for treating a immunology-related disease C3AR1, HRH3, HRH2 HDAC1 1486/4885HDAC6 1790/4885S1PR4 519/4885
US-20070142335-A1 Amino alcohol compounds or phosphonic acid derivatives thereof HRH3, C3AR1, HRH4 HDAC1 1903/4885HDAC6 3603/4885S1PR4 281/4885
US-20100035842-A1 Amino alcohol compounds or phosphonic acid derivatives thereof PHOSPHO1, ADH1C, ADH1A HDAC1 3229/4885HDAC6 4627/4885S1PR4 1542/4885

“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.