SCHEMBL10088967

SCHEMBL10088967

OCc1cc(-c2ccc(Cl)cc2)c(C(F)(F)F)s1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 11/20 0.42
S1PR4 O95977 9/20 0.42
S1PR5 Q9H228 9/20 0.42
NOTUM Q6P988 3/20 0.41
S1PR3 Q99500 6/20 0.39
FFAR4 Q5NUL3 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.38
PLK1 P53350 1/20 0.38
GAA P10253 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PTGS2 P35354 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
SCHEMBL1029129 0.83 PLK1 (0.52) S1PR1S1PR4S1PR5S1PR3PLK1
SCHEMBL8189421 0.75 PLK1 (0.51) S1PR1FFAR4PTGDR2PLK1GAA
SCHEMBL10088515 0.75 NOTUM (0.44) NOTUMGAAPTGS2
Hydrochloric Acid SCHEMBL8189425 0.74 PLK1 (0.53) S1PR1NOTUMPTGDR2PLK1GAA
SCHEMBL3901410 0.72 S1PR1 (0.49) S1PR1S1PR4S1PR5S1PR3PLK1
SCHEMBL8419554 0.72 PLK1 (0.42) S1PR1S1PR4S1PR5S1PR3FFAR4
SCHEMBL16048909 0.71 FFAR4 (0.55) NOTUMFFAR4PTGDR2
SCHEMBL2850192 0.70 ESR1 (0.41) NOTUMGAAPTGS2
SCHEMBL12490208 0.70 PTPN2 (0.36)
SCHEMBL12490646 0.68 PTPN2 (0.41) 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 4 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
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 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.