SCHEMBL951087

SCHEMBL951087

CC(C)(C)OC(=O)N(CCCc1ccc(OCCCCCc2ccccc2)cc1)CCC(=O)O

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 4/20 0.60
S1PR1 P21453 8/20 0.58
S1PR3 Q99500 5/20 0.58
S1PR5 Q9H228 1/20 0.58
LTA4H P09960 2/20 0.51
LTB4R Q15722 1/20 0.48
LTB4R2 Q9NPC1 1/20 0.48
S1PR4 O95977 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
FFAR4 Q5NUL3 1/20 0.47
PLA2G4B P0C869 1/20 0.46

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
SCHEMBL947667 0.99 FFAR1 (0.62) FFAR1S1PR1S1PR3S1PR5LTA4H
SCHEMBL450623 0.96 FFAR1 (0.61) FFAR1S1PR1S1PR3S1PR5LTA4H
SCHEMBL4658219 0.93 FFAR1 (0.51) FFAR1S1PR1S1PR3S1PR5LTA4H
SCHEMBL13979613 0.91 LTA4H (0.55) FFAR1S1PR1S1PR3S1PR5LTA4H
SCHEMBL4657061 0.90 FFAR1 (0.55) FFAR1S1PR1S1PR3S1PR5LTA4H
Hydrochloric Acid SCHEMBL4659159 0.89 FFAR1 (0.54) FFAR1S1PR1S1PR3S1PR5LTA4H
SCHEMBL4659455 0.89 FFAR1 (0.51) FFAR1S1PR1S1PR3S1PR5LTA4H
SCHEMBL947127 0.88 FFAR1 (0.53) FFAR1S1PR1S1PR3LTA4HLTB4R
SCHEMBL14544259 0.88 LTA4H (0.54) FFAR1S1PR1S1PR3S1PR5LTA4H
SCHEMBL4658260 0.87 FFAR1 (0.49) FFAR1S1PR1S1PR3S1PR5LTA4H

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2883865-A1 Compound capable of binding S1P receptor and pharmaceutical use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2015-06-17 EP disclosed
US-20140288034-A1 COMPOUND CAPABLE OF BINDING S1P RECEPTOR AND PHARMACEUTICAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2014-09-25 US disclosed
US-8791159-B2 Compound capable of binding S1P receptor and pharmaceutical use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2014-07-29 US disclosed
US-20110020324-A1 COMPOUND CAPABLE OF BINDING S1P RECEPTOR AND PHARMACEUTICAL USE THEREOF ONO PHARMACEUTICAL CO., LTD (JP) 2011-01-27 US disclosed
US-7825109-B2 Compound capable of binding S1P receptor and pharmaceutical use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2010-11-02 US disclosed
US-20070167425-A1 Compound capable of binding s1p receptor and pharmaceutical use thereof ONO PHARMACEUTICAL CO., LTD (JP) 2007-07-19 US disclosed
EP-1661881-A2 COMPOUND CAPABLE OF BINDING S1P RECEPTOR AND PHARMACEUTICAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2006-05-31 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 (3 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-20140288034-A1 COMPOUND CAPABLE OF BINDING S1P RECEPTOR AND PHARMACEUTICAL USE THEREOF S1PR1, S1PR2, S1PR3 FFAR1 28/4885S1PR1 1/4885S1PR3 3/4885
US-20070167425-A1 Compound capable of binding s1p receptor and pharmaceutical use thereof S1PR1, S1PR3, S1PR2 FFAR1 37/4885S1PR1 1/4885S1PR3 2/4885
US-20110020324-A1 COMPOUND CAPABLE OF BINDING S1P RECEPTOR AND PHARMACEUTICAL USE THEREOF S1PR1, S1PR3, S1PR2 FFAR1 37/4885S1PR1 1/4885S1PR3 2/4885

“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.