SCHEMBL13764408

SCHEMBL13764408

C=C(NCCS(N)(=O)=O)Nc1ccc(NC(CNC(=N)N)C(=O)NC(CNC(=N)N)C(=O)NCc2ccccc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F7 P08709 2/20 0.39
▸ CA2 P00918 6/20 0.37
▸ CA1 P00915 5/20 0.37
▸ CA12 O43570 3/20 0.37
▸ CA9 Q16790 3/20 0.37
▸ LIPC P11150 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ CA7 P43166 2/20 0.36
▸ CA3 P07451 1/20 0.35
▸ CA4 P22748 1/20 0.35
▸ CA6 P23280 1/20 0.35
▸ CA5A P35218 1/20 0.35
▸ CACNA1C Q13936 1/20 0.35
▸ SCN9A Q15858 1/20 0.35
▸ CA13 Q8N1Q1 1/20 0.35
▸ CA14 Q9ULX7 1/20 0.35
▸ CA5B Q9Y2D0 1/20 0.35
▸ F2 P00734 3/20 0.35
▸ TMPRSS6 Q8IU80 2/20 0.35
▸ PSMB8 P28062 1/20 0.35

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
SCHEMBL13764410 0.96 CA2 (0.40) F7CA2CA1CA12CA9
SCHEMBL13764417 0.89 CA1 (0.40) F7CA2CA1CA12CA9
SCHEMBL13764425 0.87 CA1 (0.41) F7CA2CA1CA12CA9
SCHEMBL13764414 0.86 MMP8 (0.43) F7CA2CA1CA12CA9
SCHEMBL13764415 0.84 CA2 (0.42) CA2CA1CA12CA9LIPC
SCHEMBL13764412 0.78 CA2 (0.51) CA2CA1CA12CA9CA7
SCHEMBL13764570 0.76 CA2 (0.63) CA2CA1CA12CA9CA7
SCHEMBL13764422 0.76 MMP8 (0.49) CA2CA1CA12CA9CA7
SCHEMBL13764424 0.73 MMP8 (0.48) CA2CA1CA12CA9CA7
SCHEMBL14628111 0.63 F2 (0.48) F7F2TMPRSS6MMP1FCER2

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-8877970-B2 Inhibitors of carbonic anhydrase IX MOLECULAR INSIGHT PHARMACEUTICALS, INC. (US) 2014-11-04 — — US disclosed
US-20090175794-A1 INHIBITORS OF CARBONIC ANHYDRASE IX MOLECULAR INSIGHT PHARMACEUTICALS, INC. 2009-07-09 — — 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-20090175794-A1 INHIBITORS OF CARBONIC ANHYDRASE IX CA9, CA12, CA1 F7 2700/4885CA2 7/4885CA1 3/4885

“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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