SCHEMBL10088720

SCHEMBL10088720

CCCc1sc(COc2ccc3c(c2)OCC(CN2CC(C(=O)O)C2)=C3)cc1-c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 18/20 0.51
S1PR5 Q9H228 15/20 0.51
S1PR4 O95977 10/20 0.51
S1PR3 Q99500 8/20 0.51
PRKX P51817 1/20 0.40
ACVR1 Q04771 1/20 0.40
MAPK1 P28482 1/20 0.39

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
SCHEMBL10088716 0.94 S1PR1 (0.52) S1PR1S1PR5S1PR4S1PR3PRKX
SCHEMBL10088706 0.88 S1PR5 (0.54) S1PR1S1PR5S1PR4S1PR3PRKX
SCHEMBL10088726 0.88 S1PR1 (0.46) S1PR1S1PR5S1PR4S1PR3PRKX
SCHEMBL10088717 0.87 S1PR5 (0.54) S1PR1S1PR5S1PR4S1PR3PRKX
SCHEMBL10088725 0.86 S1PR1 (0.51) S1PR1S1PR5S1PR4S1PR3PRKX
SCHEMBL10088721 0.85 S1PR1 (0.52) S1PR1S1PR5S1PR4S1PR3PRKX
SCHEMBL10089000 0.85 S1PR1 (0.71) S1PR1S1PR5S1PR4S1PR3PRKX
SCHEMBL10088729 0.85 S1PR1 (0.46) S1PR1S1PR5S1PR4S1PR3PRKX
SCHEMBL10089062 0.85 S1PR5 (0.51) S1PR1S1PR5S1PR4S1PR3PRKX
SCHEMBL10088715 0.85 S1PR5 (0.51) S1PR1S1PR5S1PR4S1PR3PRKX

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2354134-B1 2H-CHROMENE DERIVATIVES AS STIMULATORS OF SPHINGOSINE 1-PHOSPHATE RECEPTOR ASTELLAS PHARMA INC (JP) 2016-02-24 EP disclosed
US-20120178735-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF ASTELLAS PHARMA INC. (JP) 2012-07-12 US disclosed
US-20120178735-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF ASTELLAS PHARMA INC. (JP) 2012-07-12 US disclosed
US-8193378-B2 2H-chromene compound and derivative thereof ASTELLAS PHARMA INC. (JP) 2012-06-05 US disclosed
US-8193378-B2 2H-chromene compound and derivative thereof ASTELLAS PHARMA INC. (JP) 2012-06-05 US disclosed
US-20110230463-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF ASTELLAS PHARMA INC. (JP) 2011-09-22 US disclosed
US-20110230463-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF ASTELLAS PHARMA INC. (JP) 2011-09-22 US disclosed
EP-2354134-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF Astellas Pharma Inc. (JP) 2011-08-10 EP disclosed
WO-2010064707-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF アステラス製薬株式会社 (JP) 2010-06-10 WO 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-20110230463-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF S1PR1, S1PR2, CCR1 S1PR1 1/4885S1PR5 4/4885S1PR4 5/4885
US-20120178735-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF S1PR1, S1PR2, S1PR4 S1PR1 1/4885S1PR5 7/4885S1PR4 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.