SCHEMBL2166300

SCHEMBL2166300

CC(OS(C)(=O)=O)c1cc(Cl)c2conc2c1-c1cccc(F)c1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.36
BCL2 P10415 1/20 0.35
PTGS2 P35354 2/20 0.34
SCN9A Q15858 13/20 0.33
GRM5 P41594 1/20 0.33
CYP2C9 P11712 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
SCHEMBL2037421 0.82 BCL2 (0.41) PIK3CDBCL2GRM5
SCHEMBL2035181 0.82 PIK3CD (0.40) PIK3CDBCL2GRM5
SCHEMBL12470347 0.79 PIK3CD (0.38) PIK3CDBCL2
SCHEMBL15621559 0.79 PIK3CD (0.38) PIK3CDBCL2
SCHEMBL2017931 0.79 SLC22A12 (0.41) PIK3CDBCL2PTGS2SCN9AGRM5
SCHEMBL15617777 0.77 BCL2 (0.38) PIK3CDBCL2
SCHEMBL2041671 0.73 ACLY (0.36) PTGS2SCN9AGRM5CYP2C9
SCHEMBL2018513 0.73 NT5E (0.38) GRM5
SCHEMBL2039744 0.72 NT5E (0.36) PIK3CDSCN9AGRM5
SCHEMBL2018303 0.71 PIK3CD (0.41) PIK3CDBCL2PTGS2SCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8680108-B2 Substituted fused aryl and heteroaryl derivatives as PI3K inhibitors INCYTE CORPORATION (US) 2014-03-25 US disclosed
US-20110183985-A1 SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION 2011-07-28 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 (1 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-20110183985-A1 SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS PIK3R1, PIK3R3, PIK3R2 PIK3CD 13/4885BCL2 1174/4885PTGS2 1558/4885

“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.