SCHEMBL13100104

SCHEMBL13100104

CCN(CCOC)C(=O)c1nc(Cc2ccccc2)n(-c2ccc(S(N)(=O)=O)cc2)n1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.45
CA1 P00915 10/20 0.42
CA2 P00918 10/20 0.42
CA12 O43570 7/20 0.42
CA9 Q16790 6/20 0.42
CA4 P22748 3/20 0.39
CA7 P43166 2/20 0.39
PDPK1 O15530 1/20 0.38

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
SCHEMBL13100115 0.90 PTGS2 (0.45) PTGS2CA1CA2CA12CA9
SCHEMBL13100109 0.89 PTGS2 (0.44) PTGS2CA1CA2CA12CA9
SCHEMBL13100078 0.89 PTGS2 (0.44) PTGS2CA1CA2CA12CA9
SCHEMBL13100196 0.88 PTGS2 (0.46) PTGS2CA1CA2CA12CA9
SCHEMBL13100086 0.88 PTGS2 (0.43) PTGS2CA1CA2CA12CA9
SCHEMBL13100113 0.87 CA1 (0.44) PTGS2CA1CA2CA12CA9
SCHEMBL13100160 0.84 NPC1 (0.41) PTGS2CA1CA2CA12CA9
SCHEMBL13100178 0.84 MAPT (0.47) PTGS2CA1CA2CA12CA9
SCHEMBL13100106 0.84 PTGS2 (0.44) PTGS2CA1CA2CA12CA9
SCHEMBL13100080 0.83 CA1 (0.45) PTGS2CA1CA2CA12CA9

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 PTGS2 47/4885CA1 7/4885CA2 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.