SCHEMBL4049679

SCHEMBL4049679

OCCCCc1ccc(C(F)(F)F)cc1C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.48
CES2 O00748 2/20 0.43
POLQ O75417 8/20 0.43
CTSS P25774 2/20 0.37
CTSK P43235 1/20 0.37
CYSLTR2 Q9NS75 1/20 0.36
CYSLTR1 Q9Y271 1/20 0.36
SLC6A4 P31645 1/20 0.36
IDO1 P14902 1/20 0.36
S1PR1 P21453 1/20 0.36
AR P10275 1/20 0.35
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
RXRG P48443 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
SCHEMBL3902853 0.95 DAO (0.49) DAOCES2POLQCTSSCTSK
SCHEMBL22972987 0.87 DAO (0.51) DAOCES2POLQCTSSCTSK
SCHEMBL18002039 0.86 CES2 (0.43) DAOCES2POLQCTSKCYSLTR2
SCHEMBL18378265 0.83 DAO (0.51) DAOCES2POLQCYSLTR2CYSLTR1
SCHEMBL2795028 0.81 GAA (0.47) DAOCTSSCTSKIDO1S1PR1
SCHEMBL1993639 0.81 CES2 (0.52) DAOCES2POLQIDO1AR
SCHEMBL18243408 0.81 DAO (0.52) DAOCES2POLQCYSLTR2CYSLTR1
SCHEMBL18242683 0.81 DAO (0.49) DAOCES2POLQSLC6A4IDO1
SCHEMBL29172379 0.80 CYSLTR2 (0.51) DAOCES2POLQCYSLTR2CYSLTR1
SCHEMBL3535046 0.79 CTSS (0.49) CTSSCTSKIDO1ARRXRA

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
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

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-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.