SCHEMBL16998357

SCHEMBL16998357

[N-]=[N+]=NCC(=S)Nc1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CA9 Q16790 17/20 0.63
▸ CA1 P00915 16/20 0.63
▸ CA2 P00918 16/20 0.63
▸ CA12 O43570 7/20 0.60
▸ CA14 Q9ULX7 3/20 0.59
▸ CA7 P43166 2/20 0.58
▸ USP2 O75604 1/20 0.58
▸ L3MBTL1 Q9Y468 1/20 0.58
▸ ELF3 P78545 1/20 0.51
▸ MED23 Q9ULK4 1/20 0.51

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
SCHEMBL13698023 0.92 CA9 (0.60) CA9CA1CA2CA12CA14
SCHEMBL14076112 0.87 CA9 (0.68) CA9CA1CA2CA12CA14
SCHEMBL14086339 0.86 CA9 (0.69) CA9CA1CA2CA12CA14
SCHEMBL14806746 0.85 CA9 (0.57) CA9CA1CA2CA12CA14
SCHEMBL15828111 0.85 CA9 (0.83) CA9CA1CA2CA12CA14
SCHEMBL18474362 0.84 CA1 (0.67) CA9CA1CA2CA12CA14
SCHEMBL21151022 0.83 CA1 (0.66) CA9CA1CA2CA12CA14
SCHEMBL21728982 0.83 CA1 (0.66) CA9CA1CA2CA12CA14
SCHEMBL12060447 0.83 CA9 (0.75) CA9CA1CA2CA12CA14
SCHEMBL19954964 0.83 CA9 (0.72) CA9CA1CA2CA12CA14

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
US-9914956-B2 Cell-permeable probes for identification and imaging of sialidases ACADEMIA SINICA (TW) 2018-03-13 — — US disclosed
US-20150225766-A1 CELL-PERMEABLE PROBES FOR IDENTIFICATION AND IMAGING OF SIALIDASES ACADEMIA SINICA (TW) 2015-08-13 — — 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-20150225766-A1 CELL-PERMEABLE PROBES FOR IDENTIFICATION AND IMAGING OF SIALIDASES NEU1, NEU3, NEU2 CA9 162/4885CA1 1000/4885CA2 1217/4885

“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.

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