SCHEMBL3102148

SCHEMBL3102148

CCNC(=O)c1cc(S(N)(=O)=O)ccc1-n1nc(C(=O)N2CCOCC2)cc1C

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 12/20 0.53
SLC6A9 P48067 1/20 0.45
CA2 P00918 2/20 0.45
RAD52 P43351 1/20 0.44
CA4 P22748 1/20 0.44
PABPC1 P11940 1/20 0.42

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
SCHEMBL3101658 0.89 PTGS2 (0.54) PTGS2CA2
SCHEMBL3110187 0.89 PTGS2 (0.53) PTGS2CA2CA4
SCHEMBL3118389 0.87 PTGS2 (0.54) PTGS2SLC6A9CA2
SCHEMBL3114697 0.86 CA2 (0.49) PTGS2CA2CA4
SCHEMBL3098615 0.82 CA9 (0.51) PTGS2CA2CA4
SCHEMBL3117954 0.82 PTGS2 (0.57) PTGS2SLC6A9
SCHEMBL3102832 0.79 CA2 (0.43) PTGS2CA2CA4
SCHEMBL3113061 0.79 CA4 (0.53) PTGS2CA2CA4
SCHEMBL3109959 0.78 CA2 (0.49) CA2CA4
SCHEMBL3106608 0.77 PTGS2 (0.54) PTGS2

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 PTGS2 47/4885SLC6A9 1966/4885CA2 1/4885

“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.