SCHEMBL10089087

SCHEMBL10089087

C[C@H](Oc1ccc(COc2ccc3c(c2)OCC(CN2CC=C(C(=O)O)CC2)=C3)cc1Cl)C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 10/20 0.35
ALOX5 P09917 3/20 0.34
FFAR1 O14842 1/20 0.33
S1PR5 Q9H228 2/20 0.33
S1PR4 O95977 1/20 0.33
RORC P51449 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.32
XBP1 P17861 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32

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
SCHEMBL10088852 0.92 S1PR1 (0.40) S1PR1S1PR5S1PR4
SCHEMBL2324421 0.90 S1PR1 (0.45) S1PR1ALOX5FFAR1S1PR5XBP1
SCHEMBL2324410 0.89 CD274 (0.37) S1PR1ALOX5FFAR1S1PR5S1PR4
SCHEMBL10089079 0.89 ALOX5 (0.37) S1PR1ALOX5S1PR5S1PR4HRH3
SCHEMBL10088881 0.88 FFAR1 (0.37) S1PR1ALOX5FFAR1S1PR5XBP1
SCHEMBL10088831 0.86 S1PR1 (0.45) S1PR1ALOX5S1PR5S1PR4
SCHEMBL10088855 0.85 CD274 (0.42) S1PR1S1PR5S1PR4
SCHEMBL10089050 0.84 FFAR1 (0.32) S1PR1ALOX5FFAR1S1PR5
SCHEMBL17510085 0.84 S1PR1 (0.35) S1PR1ALOX5FFAR1S1PR5S1PR4
SCHEMBL10088878 0.83 S1PR1 (0.38) S1PR1ALOX5S1PR5S1PR4PTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20110230463-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF ASTELLAS PHARMA INC. (JP) 2011-09-22 US 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 1/4885ALOX5 257/4885FFAR1 73/4885
US-20120178735-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF S1PR1, S1PR2, S1PR4 S1PR1 1/4885ALOX5 377/4885FFAR1 42/4885

“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.