SCHEMBL4051544

SCHEMBL4051544

CS(=O)(=O)OCc1ccc(OCc2ccc(F)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.62
CA1 P00915 1/20 0.62
CA2 P00918 1/20 0.62
CA7 P43166 1/20 0.62
CA9 Q16790 1/20 0.62
MAOB P27338 9/20 0.58
APP P05067 1/20 0.57
NR4A2 P43354 1/20 0.55
PARP10 Q53GL7 1/20 0.54
MMP2 P08253 2/20 0.49
MMP9 P14780 2/20 0.49
MMP1 P03956 1/20 0.49
MMP14 P50281 1/20 0.49
ADAM17 P78536 1/20 0.49
AR P10275 1/20 0.49
MAOA P21397 1/20 0.49
PTPRZ1 P23471 1/20 0.49
GSK3B P49841 1/20 0.48
BACE1 P56817 1/20 0.48

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
SCHEMBL780272 0.89 CA2 (0.48) CA12CA1CA2CA7CA9
SCHEMBL874437 0.85 AR (0.62) CA12CA1CA2CA7CA9
SCHEMBL16295051 0.83 CA12 (0.62) CA12CA1CA2CA7CA9
SCHEMBL20743498 0.81 NQO1 (0.52) CA12CA1CA2CA7CA9
SCHEMBL4952656 0.80 CA2 (0.58) CA12CA1CA2CA9MMP9
SCHEMBL24041902 0.79 MAOB (0.48) CA12CA1CA2CA7CA9
SCHEMBL11445546 0.77 CYP1A2 (0.50) CA12CA1CA2CA7CA9
SCHEMBL7420399 0.77 CA2 (0.47) CA12CA1CA2CA9MMP2
SCHEMBL5606537 0.77 MAOB (0.67) CA12CA1CA2CA7CA9
SCHEMBL5937187 0.77 APLNR (0.59) CA12CA1CA2CA9MAOB

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 CA12 495/4885CA1 1680/4885CA2 1373/4885

“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.