SCHEMBL22138550

SCHEMBL22138550

NS(=O)(=O)c1nnc(NC(=O)CCC2CCCC2)s1

nearest known ligand 0.97

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 17/20 0.97
▸ CA1 P00915 13/20 0.65
▸ CA4 P22748 10/20 0.65
▸ CA9 Q16790 11/20 0.64
▸ CA12 O43570 6/20 0.64
▸ CA3 P07451 6/20 0.64
▸ CA6 P23280 6/20 0.64
▸ CA5A P35218 6/20 0.64
▸ CA7 P43166 6/20 0.64
▸ CA13 Q8N1Q1 6/20 0.64
▸ CA14 Q9ULX7 6/20 0.64
▸ CA5B Q9Y2D0 6/20 0.64
▸ NPC1 O15118 1/20 0.59
▸ RAB9A P51151 1/20 0.59

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
SCHEMBL22138549 0.99 CA2 (1.00) CA2CA1CA4CA9CA12
SCHEMBL28417100 0.87 CA2 (0.76) CA2CA1CA4CA9CA12
SCHEMBL22118511 0.87 CA2 (0.97) CA2CA1CA4CA9CA12
SCHEMBL22118521 0.86 CA2 (1.00) CA2CA1CA4CA9CA12
SCHEMBL28412937 0.85 CA2 (0.76) CA2CA1CA4CA9NPC1
SCHEMBL28412714 0.84 CA2 (0.71) CA2CA1CA4CA9CA12
SCHEMBL28409743 0.83 CA2 (0.69) CA2CA1CA4CA9CA12
SCHEMBL28417793 0.83 CA2 (0.69) CA2CA1CA4CA9CA12
SCHEMBL28412650 0.82 CA2 (0.68) CA2CA1CA4CA9CA12
SCHEMBL24599314 0.81 CA2 (0.87) CA2CA1CA4CA9CA12

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-20220213047-A1 CARBONIC ANHYDRASE INHIBITORS FOR TREATMENT OF NEISSERIA GONORRHOEAE INFECTION PURDUE RESEARCH FOUNDATION (US) 2022-07-07 — — US disclosed
WO-2020131980-A1 CARBONIC ANHYDRASE INHIBITORS AND ANTIBIOTICS AGAINST MULTIDRUG RESISTANT BACTERIA PURDUE RESEARCH FOUNDATION (US) 2020-06-25 — — 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-20220213047-A1 CARBONIC ANHYDRASE INHIBITORS FOR TREATMENT OF NEISSERIA GONORRHOEAE INFECTION CA4, CA7, CA9 CA2 6/4885CA1 11/4885CA4 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.

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