SCHEMBL6356391

SCHEMBL6356391

COc1cc(-c2cccc(S(N)(=O)=O)c2[N+](=O)[O-])cc(OC)c1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA9 Q16790 5/20 0.50
▸ CA1 P00915 4/20 0.50
▸ CA2 P00918 4/20 0.50
▸ CA12 O43570 3/20 0.50
▸ CA13 Q8N1Q1 1/20 0.43
▸ BRD4 O60885 3/20 0.41
▸ MAPT P10636 2/20 0.41
▸ GAA P10253 1/20 0.41
▸ CA4 P22748 1/20 0.41
▸ CA7 P43166 1/20 0.41
▸ PTGS2 P35354 2/20 0.41
▸ FYN P06241 2/20 0.40
▸ TUBB4A P04350 1/20 0.40
▸ TUBB P07437 1/20 0.40
▸ TUBA3C P0DPH7 1/20 0.40
▸ TUBA1B P68363 1/20 0.40
▸ TUBA4A P68366 1/20 0.40
▸ TUBB4B P68371 1/20 0.40
▸ TUBB3 Q13509 1/20 0.40
▸ TUBB2A Q13885 1/20 0.40

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
SCHEMBL7463373 0.84 CA9 (0.56) CA9CA1CA2CA12CA13
SCHEMBL8656781 0.81 CA9 (0.54) CA9CA1CA2CA12CA13
SCHEMBL5189522 0.80 CA9 (0.52) CA9CA1CA2CA12CA13
SCHEMBL28163944 0.77 ALDH1A1 (0.47) CA9CA1CA2CA12CA4
SCHEMBL8660458 0.76 PTGS2 (0.51) CA9CA1CA2CA12CA13
SCHEMBL6725775 0.73 CA2 (0.75) CA9CA1CA2CA12CA13
SCHEMBL8657899 0.72 CA9 (0.47) CA9CA1CA2CA12CA13
SCHEMBL8657255 0.72 CA9 (0.44) CA9CA1CA2CA12CA13
SCHEMBL8661248 0.70 PTGS2 (0.46) CA9CA1CA2CA12BRD4
SCHEMBL29449333 0.70 NPY1R (0.41) CA9CA1CA2CA12CA4

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
CN-1701059-A Chemotherapeutic agents SINGYO LTD (AU) 2005-11-23 — — CN disclosed
US-20050038248-A1 Chemotherapeutic agents STARPHARMA PTY LTD (AU) 2005-02-17 — — 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-20050038248-A1 Chemotherapeutic agents MKI67, PCNA, MCL1 CA9 967/4885CA1 1339/4885CA2 1243/4885

“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