SCHEMBL13764412

SCHEMBL13764412

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

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 11/20 0.51
▸ CA1 P00915 9/20 0.51
▸ CA12 O43570 5/20 0.51
▸ CA9 Q16790 5/20 0.51
▸ ALDH1A1 P00352 3/20 0.50
▸ HPGD P15428 1/20 0.50
▸ CA7 P43166 2/20 0.47
▸ PTPN1 P18031 1/20 0.46
▸ PIM1 P11309 1/20 0.43
▸ DUSP3 P51452 1/20 0.42
▸ PTPN11 Q06124 1/20 0.42
▸ TAAR1 Q96RJ0 1/20 0.42
▸ NAMPT P43490 1/20 0.42
▸ PKM P14618 1/20 0.41
▸ MAOA P21397 1/20 0.41
▸ MAOB P27338 1/20 0.41
▸ CA5A P35218 1/20 0.41
▸ CA14 Q9ULX7 1/20 0.41
▸ CA5B Q9Y2D0 1/20 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
SCHEMBL13764570 0.92 CA2 (0.63) CA2CA1CA12CA9CA7
SCHEMBL13764415 0.86 CA2 (0.42) CA2CA1CA12CA9ALDH1A1
SCHEMBL13764410 0.81 CA2 (0.40) CA2CA1CA12CA9ALDH1A1
SCHEMBL13764408 0.78 F7 (0.39) CA2CA1CA12CA9ALDH1A1
SCHEMBL13764424 0.77 MMP8 (0.48) CA2CA1CA12CA9ALDH1A1
SCHEMBL13764422 0.75 MMP8 (0.49) CA2CA1CA12CA9CA7
SCHEMBL19373208 0.75 ALDH1A1 (0.61) ALDH1A1HPGDPTPN1NAMPTMAOA
SCHEMBL18737568 0.75 L3MBTL1 (0.51) ALDH1A1HPGDPTPN1MAOAMAOB
SCHEMBL18737741 0.71 MEN1 (0.46) PTPN1NAMPTMAOAMAOB
SCHEMBL23782538 0.71 MEN1 (0.59) CA2CA1CA12CA9CA7

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 CA2 7/4885CA1 3/4885CA12 2/4885

“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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