Sugi Predict

Sugi Predict / Compounds / SCHEMBL10088698

SCHEMBL10088698

SCHEMBL10088698

CCCc1ccc(COc2ccc3c(c2)OCC(CN2CC(C(=O)O)C2)=C3)cc1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ S1PR5 Q9H228 15/20 0.52
▸ S1PR1 P21453 17/20 0.51
▸ PRKX P51817 1/20 0.48
▸ ACVR1 Q04771 1/20 0.48
▸ S1PR3 Q99500 7/20 0.47
▸ HTR2A P28223 1/20 0.46
▸ KCNH2 Q12809 1/20 0.46
▸ SIGMAR1 Q99720 1/20 0.46
▸ S1PR4 O95977 2/20 0.45
▸ PDGFRA P16234 1/20 0.45
▸ ROCK1 Q13464 1/20 0.45
▸ HRH3 Q9Y5N1 1/20 0.44

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
SCHEMBL10088685 0.91 S1PR5 (0.55) S1PR5S1PR1PRKXACVR1S1PR3
SCHEMBL10088680 0.89 S1PR5 (0.56) S1PR5S1PR1PRKXACVR1S1PR3
SCHEMBL10088679 0.88 S1PR1 (0.61) S1PR5S1PR1PRKXACVR1S1PR3
SCHEMBL10088950 0.86 S1PR5 (0.55) S1PR5S1PR1PRKXACVR1S1PR3
SCHEMBL10088722 0.84 S1PR5 (0.52) S1PR5S1PR1PRKXACVR1S1PR3
SCHEMBL10088720 0.84 S1PR1 (0.51) S1PR5S1PR1PRKXACVR1S1PR3
SCHEMBL10088700 0.84 S1PR1 (0.52) S1PR5S1PR1S1PR3S1PR4
SCHEMBL10088686 0.83 S1PR1 (0.44) S1PR5S1PR1PRKXACVR1S1PR3
SCHEMBL10088683 0.83 S1PR5 (0.50) S1PR5S1PR1S1PR3
SCHEMBL23481271 0.82 S1PR1 (0.43) S1PR5S1PR1PRKXACVR1S1PR3

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 S1PR5 4/4885S1PR1 1/4885PRKX 1645/4885
US-20120178735-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF S1PR1, S1PR2, S1PR4 S1PR5 7/4885S1PR1 1/4885PRKX 2241/4885

“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.