SCHEMBL3114935

SCHEMBL3114935

CCOC(=O)c1nc(COc2ccccc2)n(-c2ccc(S(N)(=O)=O)cc2F)n1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 7/20 0.44
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42
CHRNA7 P36544 2/20 0.41
CA1 P00915 6/20 0.40
CA2 P00918 6/20 0.40
CA12 O43570 5/20 0.40
PTGS2 P35354 3/20 0.40
CA4 P22748 4/20 0.39
CA5A P35218 2/20 0.39
CA7 P43166 2/20 0.39
CA5B Q9Y2D0 2/20 0.39
MAPT P10636 1/20 0.38
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
TSHR P16473 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAOB P27338 1/20 0.37
NPSR1 Q6W5P4 1/20 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
SCHEMBL14292586 0.89 PTGS2 (0.41) CA9CA1CA2CA12PTGS2
SCHEMBL3110740 0.89 CA9 (0.43) CA9ADORA2AADORA1CHRNA7CA1
SCHEMBL3113791 0.87 CA9 (0.45) CA9ADORA2AADORA1CHRNA7CA1
SCHEMBL3108029 0.85 CA2 (0.43) CA9ADORA2AADORA1CHRNA7CA1
SCHEMBL3100706 0.83 CHRNA7 (0.43) CA9ADORA2AADORA1CHRNA7CA1
SCHEMBL13099887 0.83 PTGS2 (0.43) CA9ADORA2AADORA1CHRNA7CA1
SCHEMBL3109323 0.83 PTGS2 (0.43) CA9CHRNA7CA1CA2CA12
SCHEMBL3109217 0.83 CHRNA7 (0.42) CA9ADORA2AADORA1CHRNA7CA1
SCHEMBL3100103 0.82 CA9 (0.43) CA9ADORA2AADORA1CHRNA7CA1
SCHEMBL3115264 0.82 CHRNA7 (0.42) CA9ADORA2AADORA1CHRNA7CA1

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 3 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
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 CA9 3/4885ADORA2A 3337/4885ADORA1 4208/4885

“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.