SCHEMBL13100012

SCHEMBL13100012

CCNC(=O)c1cc(C)n(-c2ccc(S(N)(=O)=O)cc2C(=O)OC(C)C)n1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.41
CA4 P22748 4/20 0.41
PTGS2 P35354 4/20 0.40
HTT P42858 1/20 0.39
HDAC3 O15379 3/20 0.38
HDAC1 Q13547 3/20 0.38
HDAC2 Q92769 3/20 0.38
HDAC8 Q9BY41 3/20 0.38
HDAC6 Q9UBN7 3/20 0.38
CA9 Q16790 3/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CHRNA7 P36544 2/20 0.37

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
SCHEMBL3102832 0.88 CA2 (0.43) CA2CA4PTGS2HTTHDAC3
SCHEMBL3114697 0.88 CA2 (0.49) CA2CA4PTGS2HTTHDAC3
SCHEMBL3098615 0.83 CA9 (0.51) CA2CA4PTGS2HTTCA9
SCHEMBL3113061 0.80 CA4 (0.53) CA2CA4PTGS2CA12CA1
SCHEMBL3109959 0.79 CA2 (0.49) CA2CA4CA12CA1
SCHEMBL3109266 0.78 PTGS2 (0.52) CA2PTGS2HDAC3HDAC1HDAC2
SCHEMBL3102148 0.76 PTGS2 (0.53) CA2CA4PTGS2
SCHEMBL3096202 0.74 CA9 (0.57) CA2PTGS2HTTCA9CA12
SCHEMBL3102837 0.74 CA2 (0.41) CA2CA4PTGS2HDAC3HDAC1
SCHEMBL3115632 0.73 CA9 (0.53) CA2CA4PTGS2CA9CA12

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-20100256357-A1 HETEROCYCLES USEFUL AS INHIBITORS OF CARBONIC ANHYDRASE AGOURON PHARMACEUTICALS, INC. 2010-10-07 US disclosed
US-20100256357-A1 HETEROCYCLES USEFUL AS INHIBITORS OF CARBONIC ANHYDRASE AGOURON PHARMACEUTICALS, INC. 2010-10-07 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-20100256357-A1 HETEROCYCLES USEFUL AS INHIBITORS OF CARBONIC ANHYDRASE CA2, CA7, CA9 CA2 1/4885CA4 4/4885PTGS2 47/4885

“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.