Sugi Predict

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SCHEMBL10088862

SCHEMBL10088862

CCOc1ccc(COc2ccc3c(c2)OCC(CN2CCC=C(C(=O)O)C2)=C3)cc1C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CD274 Q9NZQ7 1/20 0.39
▸ ALOX5 P09917 2/20 0.37
▸ S1PR1 P21453 9/20 0.36
▸ FFAR1 O14842 2/20 0.36
▸ RXRA P19793 2/20 0.35
▸ RXRB P28702 2/20 0.35
▸ RXRG P48443 2/20 0.35
▸ PTGDR2 Q9Y5Y4 2/20 0.35
▸ MRGPRX4 Q96LA9 1/20 0.35
▸ S1PR4 O95977 2/20 0.35
▸ S1PR5 Q9H228 2/20 0.35

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
SCHEMBL10089046 0.93 ALOX5 (0.38) CD274ALOX5S1PR1FFAR1RXRA
SCHEMBL2321720 0.91 S1PR1 (0.45) CD274ALOX5S1PR1FFAR1RXRA
SCHEMBL10088870 0.91 S1PR1 (0.37) CD274ALOX5S1PR1PTGDR2MRGPRX4
SCHEMBL10088815 0.90 S1PR1 (0.39) CD274ALOX5S1PR1FFAR1PTGDR2
SCHEMBL10088845 0.89 CD274 (0.40) CD274ALOX5S1PR1FFAR1MRGPRX4
SCHEMBL10088874 0.89 CD274 (0.38) CD274S1PR1FFAR1RXRARXRB
SCHEMBL10088869 0.88 ALOX5 (0.37) ALOX5S1PR1FFAR1RXRARXRB
SCHEMBL10088858 0.87 CD274 (0.42) CD274ALOX5S1PR1FFAR1MRGPRX4
SCHEMBL10089023 0.86 ALOX5 (0.36) CD274ALOX5S1PR1FFAR1MRGPRX4
SCHEMBL10088877 0.86 ALOX5 (0.37) CD274ALOX5FFAR1

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 8 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
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 CD274 223/4885ALOX5 257/4885S1PR1 1/4885
US-20120178735-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF S1PR1, S1PR2, S1PR4 CD274 149/4885ALOX5 377/4885S1PR1 1/4885

“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.