SCHEMBL10089083

SCHEMBL10089083

C[C@H](Oc1ccc(COc2ccc3c(c2)OCC(CN2CCC(CC(=O)O)C2)=C3)cc1C(F)(F)F)C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 18/20 0.46
S1PR4 O95977 3/20 0.45
S1PR5 Q9H228 3/20 0.45
LTA4H P09960 1/20 0.36
S1PR3 Q99500 1/20 0.35
ALOX5 P09917 1/20 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
SCHEMBL10089066 0.96 S1PR1 (0.47) S1PR1S1PR4S1PR5ALOX5
SCHEMBL10088885 0.94 S1PR1 (0.52) S1PR1S1PR4S1PR5LTA4HS1PR3
SCHEMBL10088860 0.92 S1PR1 (0.40) S1PR1S1PR4S1PR5LTA4HS1PR3
SCHEMBL10088828 0.90 S1PR1 (0.54) S1PR1S1PR4S1PR5
SCHEMBL10088839 0.89 S1PR1 (0.43) S1PR1S1PR4S1PR5S1PR3ALOX5
SCHEMBL2322270 0.88 S1PR1 (0.44) S1PR1S1PR4S1PR5S1PR3
SCHEMBL10089061 0.87 S1PR1 (0.46) S1PR1S1PR4S1PR5S1PR3
SCHEMBL17510083 0.87 S1PR1 (0.43) S1PR1S1PR4S1PR5S1PR3ALOX5
Hydrochloric Acid SCHEMBL2385356 0.87 S1PR1 (0.43) S1PR1S1PR4S1PR5S1PR3
SCHEMBL10088984 0.85 ALDH1A1 (0.43) S1PR1S1PR4S1PR5

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 1/4885S1PR4 5/4885S1PR5 4/4885
US-20120178735-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF S1PR1, S1PR2, S1PR4 S1PR1 1/4885S1PR4 3/4885S1PR5 7/4885

“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.