SCHEMBL1830696

SCHEMBL1830696

O=[C]NNS(=O)(=O)C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.48
CA1 P00915 3/20 0.48
CA7 P43166 1/20 0.30
CA13 Q8N1Q1 1/20 0.30
EPHX1 P07099 1/20 0.30
MMP1 P03956 1/20 0.30
MMP2 P08253 1/20 0.30
MMP9 P14780 1/20 0.30
MMP8 P22894 1/20 0.30
MMP13 P45452 1/20 0.30

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
SCHEMBL28511453 0.76 CA2 (0.56) CA2CA1CA7CA13EPHX1
SCHEMBL424202 0.72 CA2 (0.46) CA2CA1CA7CA13EPHX1
SCHEMBL8231627 0.65
SCHEMBL4457449 0.64 CA2 (0.56) CA2CA1CA7CA13EPHX1
SCHEMBL37874 0.64 CA2 (0.56) CA2CA1CA7CA13EPHX1
SCHEMBL1830697 0.63 CA2 (0.42) CA2CA1CA7CA13EPHX1
SCHEMBL15477522 0.62 EPHX1 (0.47) CA2CA1CA7CA13EPHX1
SCHEMBL23886640 0.61 CA2 (0.53) CA2CA1CA7CA13EPHX1
SCHEMBL6275307 0.61 CA2 (0.53) CA2CA1CA7CA13EPHX1
SCHEMBL6897439 0.61 CA2 (0.53) CA2CA1CA7CA13EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9138427-B2 Pyrrole inhibitors of S-nitrosoglutathione reductase as therapeutic agents NIVALIS THERAPEUTICS, INC. (US) 2015-09-22 US disclosed
US-20140194425-A1 Novel Pyrrole Inhibitors of S-Nitrosoglutathione Reductase as Therapeutic Agents N30 PHARMACEUTICALS, INC. (US) 2014-07-10 US disclosed
US-20110144110-A1 Novel Pyrrole Inhibitors of S-Nitrosoglutathione Reductase as Therapeutic Agents N30 PHARMACEUTICALS, LLC (US) 2011-06-16 US disclosed
EP-2318006-A1 NOVEL PYRROLE INHIBITORS OF S-NITROSOGLUTATHIONE REDUCTASE AS THERAPEUTIC AGENTS N30 Pharmaceuticals, LLC (US) 2011-05-11 EP disclosed
WO-2010019903-A1 NOVEL PYRROLE INHIBITORS OF S-NITROSOGLUTATHIONE REDUCTASE AS THERAPEUTIC AGENTS N30 PHARMACEUTICALS, LLC (US) 2010-02-18 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 (2 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-20140194425-A1 Novel Pyrrole Inhibitors of S-Nitrosoglutathione Reductase as Therapeutic Agents GSR, DHFR, GRHPR CA2 4299/4885CA1 4697/4885CA7 4759/4885
US-20110144110-A1 Novel Pyrrole Inhibitors of S-Nitrosoglutathione Reductase as Therapeutic Agents GSR, DHFR, GRHPR CA2 4299/4885CA1 4697/4885CA7 4759/4885

“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.