SCHEMBL447991

SCHEMBL447991

CC1=C(C=O)CCc2cc(OC[C@H](C)Cc3ccc(F)cc3)ccc21

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 16/20 0.61
S1PR3 Q99500 12/20 0.61
MAOA P21397 2/20 0.42
MAOB P27338 2/20 0.42
MAPK14 Q16539 2/20 0.36

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
SCHEMBL2528249 1.00 S1PR1 (0.61) S1PR1S1PR3MAOAMAOBMAPK14
SCHEMBL450033 0.90 S1PR1 (0.61) S1PR1S1PR3MAOAMAOB
SCHEMBL1875248 0.89 S1PR1 (0.53) S1PR1S1PR3MAOAMAOBMAPK14
SCHEMBL448481 0.82 S1PR1 (0.59) S1PR1S1PR3MAOAMAOB
SCHEMBL450133 0.81 S1PR1 (0.63) S1PR1S1PR3MAOAMAOB
SCHEMBL454275 0.81 S1PR1 (0.63) S1PR1S1PR3MAOAMAOB
SCHEMBL451386 0.80 S1PR1 (0.65) S1PR1S1PR3MAOAMAOB
SCHEMBL453087 0.80 S1PR1 (0.72) S1PR1S1PR3
SCHEMBL2528521 0.80 S1PR1 (0.54) S1PR1S1PR3MAOAMAOB
SCHEMBL453922 0.78 S1PR1 (0.75) S1PR1S1PR3

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 S1PR1 1/4885S1PR3 2/4885MAOA 2130/4885
US-20080207584-A1 Compound Having S1P Receptor Binding Potency and Use Thereof S1PR1, EDNRA, S1PR3 S1PR1 1/4885S1PR3 3/4885MAOA 2174/4885

“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.