SCHEMBL4051071

SCHEMBL4051071

CS(=O)(=O)OCc1ccc(-c2ccc(C(F)(F)F)cc2C(F)(F)F)cn1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 8/20 0.41
FEN1 P39748 8/20 0.41
PTGDR2 Q9Y5Y4 2/20 0.39
PTGS2 P35354 2/20 0.38
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38
SCN9A Q15858 2/20 0.38
SCN5A Q14524 1/20 0.38
CYP2C9 P11712 1/20 0.38
HDAC1 Q13547 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37
PDE3B Q13370 2/20 0.37
PDE3A Q14432 2/20 0.37
EDNRB P24530 1/20 0.37
EDNRA P25101 1/20 0.37
ABCB11 O95342 1/20 0.36

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
SCHEMBL12747161 0.81 POLB (0.42) PTGS2
SCHEMBL30836024 0.81 POLB (0.42) PTGS2
SCHEMBL16399421 0.73 POLQ (0.43)
SCHEMBL2599168 0.72 LMNA (0.36) PTGDR2SCN9ACYP2C9
SCHEMBL4055657 0.70 LIMK1 (0.38) ALOX5APFEN1
SCHEMBL16398716 0.70 SRD5A2 (0.47)
SCHEMBL32682782 0.70 SRD5A2 (0.47)
SCHEMBL4493932 0.70 FEN1 (0.64) ALOX5APFEN1PDE3BPDE3A
SCHEMBL16423108 0.70 CACNA1I (0.37) PTGS2SCN9ACYP2C9HDAC1HDAC6
SCHEMBL17803376 0.68 RAB9A (0.48) PTGS2

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 ALOX5AP 2793/4885FEN1 2117/4885PTGDR2 4611/4885

“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.