SCHEMBL13764422

SCHEMBL13764422

C=C(NCCS(N)(=O)=O)NC(CC(=O)O)C(=O)NC(CC(=O)O)C(=O)NCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP8 P22894 2/20 0.49
▸ GAA P10253 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ CA1 P00915 2/20 0.43
▸ CA2 P00918 2/20 0.43
▸ CA12 O43570 1/20 0.43
▸ CA3 P07451 1/20 0.43
▸ CA4 P22748 1/20 0.43
▸ CA6 P23280 1/20 0.43
▸ CA5A P35218 1/20 0.43
▸ CA7 P43166 1/20 0.43
▸ CACNA1C Q13936 1/20 0.43
▸ SCN9A Q15858 1/20 0.43
▸ CA9 Q16790 1/20 0.43
▸ CA13 Q8N1Q1 1/20 0.43
▸ CA14 Q9ULX7 1/20 0.43
▸ CA5B Q9Y2D0 1/20 0.43
▸ MMP1 P03956 4/20 0.43
▸ FCER2 P06734 4/20 0.43
▸ CASP3 P42574 2/20 0.41

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
SCHEMBL13764424 0.98 MMP8 (0.48) MMP8GAAMAPTCA1CA2
SCHEMBL13764414 0.88 MMP8 (0.43) MMP8GAAMAPTCA1CA2
SCHEMBL13764417 0.85 CA1 (0.40) MMP8CA1CA2CA12CA3
SCHEMBL13764415 0.83 CA2 (0.42) MMP8GAAMAPTCA1CA2
SCHEMBL13764425 0.83 CA1 (0.41) MMP8CA1CA2CA12CA3
SCHEMBL13764408 0.76 F7 (0.39) MMP8CA1CA2CA12CA3
SCHEMBL13764412 0.75 CA2 (0.51) CA1CA2CA12CA5ACA7
SCHEMBL13764410 0.72 CA2 (0.40) CA1CA2CA12CA3CA4
SCHEMBL13764570 0.71 CA2 (0.63) MAPTCA1CA2CA12CA4
SCHEMBL8769547 0.69 MMP8 (0.59) MMP8GAAMAPTCA1CA2

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 MMP8 1225/4885GAA 33/4885MAPT 3380/4885

“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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