SCHEMBL14536660

SCHEMBL14536660

O=S(=O)(O)OCCS(=O)(=O)c1ccc(Nc2nc(F)nc(F)n2)cc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 18/20 0.56
▸ CA2 P00918 18/20 0.56
▸ CA9 Q16790 18/20 0.56
▸ CA12 O43570 13/20 0.56
▸ CA14 Q9ULX7 10/20 0.56
▸ CA4 P22748 5/20 0.56
▸ CA6 P23280 5/20 0.56
▸ CA7 P43166 5/20 0.56
▸ CA13 Q8N1Q1 4/20 0.56
▸ CA5A P35218 3/20 0.48
▸ CA3 P07451 3/20 0.48
▸ CDK2 P24941 2/20 0.38
▸ CDK1 P06493 1/20 0.38
▸ KDR P35968 1/20 0.38
▸ CDK4 P11802 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
SCHEMBL14087150 0.92 CA1 (0.47) CA1CA2CA9CA12CA14
SCHEMBL13069903 0.85 CA1 (0.42) CA1CA2CA9CA12CA14
SCHEMBL12147044 0.84 CA9 (0.56) CA1CA2CA9CA12CA14
SCHEMBL15242220 0.83 CA9 (0.42) CA1CA2CA9CA12CA14
SCHEMBL16560578 0.82 CASP6 (0.52) CA1CA2CA9CA12CA14
SCHEMBL16560586 0.82 CA1 (0.41) CA1CA2CA9CA12CA14
SCHEMBL22375891 0.81 CA9 (0.49) CA1CA2CA9CA12CA14
SCHEMBL16557822 0.80 CA1 (0.39) CA1CA2CA9CA12CA14
SCHEMBL16348812 0.79 CA9 (0.50) CA1CA2CA9CA12CA14
SCHEMBL14079904 0.79 CA9 (0.47) CA1CA2CA9CA12CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070113356-A1 Reactive polysaccharide derivatives, their preparation and their use CIBA SPECIALTY CHEMICALS CORP. (US) 2007-05-24 — — 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-20070113356-A1 Reactive polysaccharide derivatives, their preparation and their use C1S, H1-0, H1-4 CA1 1657/4885CA2 3311/4885CA9 2108/4885

“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.

Send feedback