SCHEMBL3113018

SCHEMBL3113018

NS(=O)(=O)c1ccc(-n2nc(CO)nc2Cc2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA1 P00915 12/20 0.51
CA2 P00918 12/20 0.51
CA9 Q16790 12/20 0.51
PDPK1 O15530 1/20 0.48
PTGS2 P35354 3/20 0.47
CA12 O43570 2/20 0.46
CA14 Q9ULX7 1/20 0.46

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
SCHEMBL3234915 0.87 CA9 (0.47) CA1CA2CA9CA12
SCHEMBL3110554 0.87 PTGS2 (0.46) CA1CA2CA9PDPK1PTGS2
SCHEMBL3113410 0.87 CA9 (0.47) CA1CA2CA9PDPK1PTGS2
SCHEMBL3114880 0.87 CA1 (0.47) CA1CA2CA9PTGS2
SCHEMBL13100245 0.86 CA1 (0.45) CA1CA2CA9PDPK1PTGS2
SCHEMBL3118492 0.85 CA1 (0.48) CA1CA2CA9PDPK1PTGS2
SCHEMBL3102018 0.85 PTGS2 (0.45) CA1CA2CA9PTGS2CA12
SCHEMBL13100236 0.84 CA1 (0.44) CA1CA2CA9PDPK1PTGS2
SCHEMBL3112977 0.84 CA9 (0.49) CA1CA2CA9PTGS2
SCHEMBL3112963 0.84 SMO (0.46) CA1CA2CA9PDPK1PTGS2

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 4 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
WO-2008017932-A2 HETEROCYCLES USEFUL AS INHIBITORS OF CARBONIC ANHYDRASE PFIZER PRODUCTS INC. (US) 2008-02-14 WO 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 CA1 7/4885CA2 1/4885CA9 3/4885

“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.