SCHEMBL13764570

SCHEMBL13764570

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

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 7/20 0.63
▸ CA1 P00915 5/20 0.63
▸ CA12 O43570 4/20 0.63
▸ CA9 Q16790 4/20 0.63
▸ NAMPT P43490 6/20 0.52
▸ CA7 P43166 2/20 0.52
▸ PTPN1 P18031 1/20 0.51
▸ NPC1 O15118 2/20 0.51
▸ RAB9A P51151 2/20 0.51
▸ MAPT P10636 1/20 0.51
▸ RORC P51449 1/20 0.51
▸ ROCK2 O75116 1/20 0.50
▸ ROCK1 Q13464 1/20 0.50
▸ CA4 P22748 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ MAOB P27338 1/20 0.48

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
SCHEMBL13764412 0.92 CA2 (0.51) CA2CA1CA12CA9NAMPT
SCHEMBL13764415 0.82 CA2 (0.42) CA2CA1CA12CA9CA7
SCHEMBL13764410 0.79 CA2 (0.40) CA2CA1CA12CA9CA7
SCHEMBL14726350 0.78 CA2 (0.74) CA2CA1CA12CA9NAMPT
SCHEMBL672160 0.78 CA2 (1.00) CA2CA1CA12CA9NAMPT
SCHEMBL13764408 0.76 F7 (0.39) CA2CA1CA12CA9CA7
SCHEMBL2831462 0.75 NPC1 (0.77) CA2CA1CA12CA9NAMPT
SCHEMBL3461361 0.74 CA2 (0.68) CA2CA1CA12CA9NAMPT
SCHEMBL14726348 0.74 CA2 (0.72) CA2CA1CA12CA9NAMPT
SCHEMBL13764424 0.73 MMP8 (0.48) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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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