SCHEMBL10089082

SCHEMBL10089082

C[C@H](Oc1ncc(COc2ccc3c(c2)OCC(CN2CCC[C@@H](C(=O)O)C2)=C3)cc1C(F)(F)F)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.42
S1PR5 Q9H228 6/20 0.39
S1PR1 P21453 5/20 0.39
S1PR4 O95977 2/20 0.39
S1PR3 Q99500 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
SLC6A1 P30531 3/20 0.35
LTA4H P09960 3/20 0.35
PRKD3 O94806 1/20 0.35
CDK7 P50613 1/20 0.35
JAK3 P52333 1/20 0.35
TNK2 Q07912 1/20 0.35
KDM2B Q8NHM5 1/20 0.34
KDM4E B2RXH2 1/20 0.34
PDGFRA P16234 1/20 0.34
LMNA P02545 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL10088884 0.95 MAPK1 (0.43) MAPK1S1PR5S1PR1S1PR4S1PR3
SCHEMBL10089086 0.92 MAPK1 (0.42) MAPK1S1PR5S1PR1S1PR4S1PR3
SCHEMBL2322270 0.89 S1PR1 (0.44) MAPK1S1PR5S1PR1S1PR4S1PR3
Hydrochloric Acid SCHEMBL2385356 0.89 S1PR1 (0.43) MAPK1S1PR5S1PR1S1PR4S1PR3
SCHEMBL10088825 0.85 S1PR1 (0.49) MAPK1S1PR5S1PR1S1PR4S1PR3
SCHEMBL10310529 0.85 S1PR1 (0.49) MAPK1S1PR5S1PR1S1PR4S1PR3
SCHEMBL10088867 0.84 MAPK1 (0.44) MAPK1S1PR5S1PR1S1PR4S1PR3
SCHEMBL10089021 0.84 MAPK1 (0.43) MAPK1S1PR5S1PR1S1PR4S1PR3
SCHEMBL12440396 0.84 MAPK1 (0.43) MAPK1S1PR5S1PR1S1PR4S1PR3
SCHEMBL10089018 0.84 MAPK1 (0.43) MAPK1S1PR5S1PR1S1PR4S1PR3

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 MAPK1 790/4885S1PR5 4/4885S1PR1 1/4885
US-20120178735-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF S1PR1, S1PR2, S1PR4 MAPK1 780/4885S1PR5 7/4885S1PR1 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.