SCHEMBL1976629

SCHEMBL1976629

Cc1[c]ccc(NS(N)(=O)=O)c1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA1 P00915 17/20 0.50
CA2 P00918 17/20 0.50
CA12 O43570 3/20 0.41
CA9 Q16790 3/20 0.41
CA3 P07451 1/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36
CA5A P35218 1/20 0.36
CA7 P43166 1/20 0.36
CA14 Q9ULX7 1/20 0.36
CA5B Q9Y2D0 1/20 0.36
KIF11 P52732 1/20 0.36

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
SCHEMBL197213 0.83 ALDH1A1 (0.46) CA1CA2CA12CA9KIF11
SCHEMBL6442394 0.77 PTPN11 (0.51) CA1CA2
SCHEMBL6440332 0.76 KEAP1 (0.55) CA1CA2CA12CA9
SCHEMBL10532111 0.73 KMT2A (0.58)
SCHEMBL1975965 0.71 CA1 (0.60) CA1CA2CA12CA9CA3
SCHEMBL1974464 0.71 CA2 (0.46) CA1CA2CA12CA9CA3
SCHEMBL27568067 0.71 CA1 (0.61) CA1CA2CA12CA9
SCHEMBL9468309 0.70
SCHEMBL14534371 0.69 CA1 (0.59) CA1CA2
SCHEMBL5157424 0.68 ACP1 (0.35) CA1CA2CA12CA9

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110144110-A1 Novel Pyrrole Inhibitors of S-Nitrosoglutathione Reductase as Therapeutic Agents N30 PHARMACEUTICALS, LLC (US) 2011-06-16 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-20110144110-A1 Novel Pyrrole Inhibitors of S-Nitrosoglutathione Reductase as Therapeutic Agents GSR, DHFR, GRHPR CA1 4697/4885CA2 4299/4885CA12 4860/4885

“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.