SCHEMBL450623

SCHEMBL450623

CC(C)(C)OC(=O)N(CCCc1ccc(OCCCc2ccccc2)cc1)CCC(=O)O

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 4/20 0.61
S1PR1 P21453 8/20 0.57
S1PR3 Q99500 4/20 0.57
LTA4H P09960 2/20 0.53
S1PR5 Q9H228 1/20 0.52
PPARG P37231 2/20 0.49
FFAR4 Q5NUL3 1/20 0.48
LTB4R Q15722 2/20 0.47
LTB4R2 Q9NPC1 2/20 0.47

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 0.97 FFAR1 (0.62) FFAR1S1PR1S1PR3LTA4HS1PR5
SCHEMBL951087 0.96 FFAR1 (0.60) FFAR1S1PR1S1PR3LTA4HS1PR5
SCHEMBL947127 0.92 FFAR1 (0.53) FFAR1S1PR1S1PR3LTA4HPPARG
SCHEMBL4658219 0.88 FFAR1 (0.51) FFAR1S1PR1S1PR3LTA4HS1PR5
SCHEMBL13979613 0.86 LTA4H (0.55) FFAR1S1PR1S1PR3LTA4HS1PR5
SCHEMBL4657061 0.85 FFAR1 (0.55) FFAR1S1PR1S1PR3LTA4HS1PR5
Hydrochloric Acid SCHEMBL4659159 0.84 FFAR1 (0.54) FFAR1S1PR1S1PR3LTA4HS1PR5
SCHEMBL4659455 0.84 FFAR1 (0.51) FFAR1S1PR1S1PR3LTA4HS1PR5
SCHEMBL946899 0.83 RXRA (0.43) LTB4R
SCHEMBL14544259 0.83 LTA4H (0.54) FFAR1S1PR1S1PR3LTA4HS1PR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8653305-B2 Compound having S1P receptor binding potency and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2014-02-18 US disclosed
US-20120064060-A1 COMPOUND HAVING S1P RECEPTOR BINDING POTENCY AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2012-03-15 US disclosed
US-8039674-B2 Amino-substituted cyclic compound for EDG-1(endothelial differentiation gene) and/or EDG-6-mediated diseases; transplant rejection, autoimmune diseases, allergies, asthma, multiple organ failure, ischemia, reperfusion injury, lung or liver fibrosis; antitumor agents ONO PHARMACEUTICAL CO., LTD. (JP) 2011-10-18 US disclosed
US-20080207584-A1 Compound Having S1P Receptor Binding Potency and Use Thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2008-08-28 US disclosed
EP-1760071-A1 COMPOUND HAVING S1P RECEPTOR BINDING POTENCY AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2007-03-07 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 (2 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-20120064060-A1 COMPOUND HAVING S1P RECEPTOR BINDING POTENCY AND USE THEREOF S1PR1, S1PR3, EDNRA FFAR1 50/4885S1PR1 1/4885S1PR3 2/4885
US-20080207584-A1 Compound Having S1P Receptor Binding Potency and Use Thereof S1PR1, EDNRA, S1PR3 FFAR1 57/4885S1PR1 1/4885S1PR3 3/4885

“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.