SCHEMBL2236145

SCHEMBL2236145

NC(=O)N(c1ccc(OS(N)(=O)=O)cc1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 9/20 0.69
▸ CA9 Q16790 9/20 0.69
▸ CA1 P00915 7/20 0.69
▸ CA12 O43570 5/20 0.61
▸ CA4 P22748 2/20 0.45
▸ STS P08842 3/20 0.44
▸ ALDH1A1 P00352 2/20 0.43
▸ HSP90AA1 P07900 1/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ CA7 P43166 2/20 0.42
▸ CA3 P07451 1/20 0.42
▸ CA6 P23280 1/20 0.42
▸ CA5A P35218 1/20 0.42
▸ CA13 Q8N1Q1 1/20 0.42
▸ CA14 Q9ULX7 1/20 0.42
▸ CA5B Q9Y2D0 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ F2 P00734 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
SCHEMBL1177204 0.83 TSHR (0.57) CA2CA1ALDH1A1LMNAGAA
SCHEMBL3519559 0.83 CA2 (1.00) CA2CA9CA1CA12CA4
SCHEMBL2237810 0.81 STS (0.57) CA2CA9CA1CA12STS
SCHEMBL2235949 0.80 CA2 (0.66) CA2CA9CA1CA12STS
SCHEMBL2239304 0.80 CA2 (0.66) CA2CA9CA1CA12STS
SCHEMBL2237446 0.80 CA2 (0.57) CA2CA9CA1CA12STS
SCHEMBL2237247 0.80 CA2 (0.65) CA2CA9CA1CA12STS
SCHEMBL2236615 0.80 CA2 (0.66) CA2CA9CA1CA12STS
SCHEMBL4667729 0.79 CA2 (0.89) CA2CA9CA1CA12CA4
SCHEMBL11291473 0.77 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2LMNAHTTGAA

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-20130053392-A1 CARBONIC ANHYDRASE INHIBITORS UNIVERSITETET I OSLO (NO) 2013-02-28 — — US disclosed
EP-2533775-A1 CARBONIC ANHYDRASE INHIBITORS Universita' Degli Studi di Firenze (IT) 2012-12-19 — — EP disclosed
WO-2011098610-A1 CARBONIC ANHYDRASE INHIBITORS UNIVERSITA DEGLI STUDI DI FIRENZE (IT) 2011-08-18 — — 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 (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-20130053392-A1 CARBONIC ANHYDRASE INHIBITORS CA9, CA2, CA4 CA2 2/4885CA9 1/4885CA1 5/4885

“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.

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