SCHEMBL3902853

SCHEMBL3902853

OCCCc1ccc(C(F)(F)F)cc1C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.49
CES2 O00748 2/20 0.44
POLQ O75417 8/20 0.43
CTSS P25774 2/20 0.40
CTSK P43235 2/20 0.40
TRPV1 Q8NER1 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
KCNH2 Q12809 1/20 0.37
CA2 P00918 1/20 0.37
TLR8 Q9NR97 1/20 0.37
IDO1 P14902 1/20 0.37

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
SCHEMBL4049679 0.95 DAO (0.48) DAOCES2POLQCTSSCTSK
SCHEMBL22972987 0.89 DAO (0.51) DAOCES2POLQCTSSCTSK
SCHEMBL3535046 0.84 CTSS (0.49) CTSSCTSKTRPV1FFAR4CA2
SCHEMBL1993639 0.83 CES2 (0.52) DAOCES2POLQIDO1
SCHEMBL18242683 0.82 DAO (0.49) DAOCES2POLQIDO1
SCHEMBL18243408 0.82 DAO (0.52) DAOCES2POLQIDO1
SCHEMBL12226958 0.82 DAO (0.49) DAOPOLQCTSKFFAR4KCNH2
SCHEMBL584278 0.82 IDO1 (0.51) DAOCTSKFFAR4KCNH2CA2
SCHEMBL1629699 0.81 POLQ (0.45) POLQCTSSCTSKTRPV1FFAR4
SCHEMBL81697 0.81 DAO (0.50) DAOCTSKTRPV1FFAR4KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090324581-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE DAIICHI SANKYO COMPANY LIMITED (JP) 2009-12-31 US disclosed
US-20090324581-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE DAIICHI SANKYO COMPANY LIMITED (JP) 2009-12-31 US disclosed
US-20090324581-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE DAIICHI SANKYO COMPANY LIMITED (JP) 2009-12-31 US disclosed
WO-2009111501-A1 DERIVATIVES OF IMIDAZO [4, 5-D] PYRIDAZINE AND THEIR USE AS ANTI-VIRAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2009-09-11 WO disclosed
US-20090226398-A1 ANTI-VIRAL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE GENELABS TECHNOLOGIES, INC. 2009-09-10 US disclosed
EP-2017263-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2009-01-21 EP disclosed
EP-2017263-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2009-01-21 EP 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-20090324581-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE S1PR3, S1PR2, S1PR1 DAO 4060/4885CES2 2893/4885POLQ 4326/4885
US-20090226398-A1 ANTI-VIRAL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE MAVS, SARS1, HAVCR2 DAO 2048/4885CES2 477/4885POLQ 620/4885

“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.