SCHEMBL22118514

SCHEMBL22118514

CC(C)CC(=O)Nc1nnc(S(N)(=O)=O)s1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 13/20 0.73
▸ CA2 P00918 13/20 0.73
▸ CA9 Q16790 10/20 0.73
▸ CA4 P22748 9/20 0.73
▸ CA12 O43570 5/20 0.68
▸ CA3 P07451 5/20 0.68
▸ CA6 P23280 5/20 0.68
▸ CA5A P35218 5/20 0.68
▸ CA7 P43166 5/20 0.68
▸ CA13 Q8N1Q1 5/20 0.68
▸ CA14 Q9ULX7 5/20 0.68
▸ CA5B Q9Y2D0 5/20 0.68
▸ KMT2A Q03164 2/20 0.65
▸ MEN1 O00255 1/20 0.65
▸ CA11 O75493 1/20 0.65
▸ THRB P10828 1/20 0.65
▸ BLM P54132 1/20 0.65
▸ SMN1; SMN2 Q16637 1/20 0.65
▸ TDP1 Q9NUW8 1/20 0.65
▸ MAPT P10636 1/20 0.64

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
Propazolamide SCHEMBL1817525 0.84 CA1 (1.00) CA1CA2CA9CA4CA12
SCHEMBL3793947 0.83 CA1 (1.00) CA1CA2CA9CA4CA12
SCHEMBL308753 0.82 CA1 (1.00) CA1CA2CA9CA4CA12
SCHEMBL11049891 0.81 CA1 (1.00) CA1CA2CA9CA4CA12
Bromide SCHEMBL9403459 0.81 CA1 (0.97) CA1CA2CA9CA4CA12
Hydrochloric Acid SCHEMBL10446154 0.81 CA1 (0.97) CA1CA2CA9CA4CA12
SCHEMBL10958605 0.81 CA1 (0.74) CA1CA2CA9CA4CA12
SCHEMBL22118540 0.81 CA1 (0.71) CA1CA2CA9CA4CA12
SCHEMBL18475604 0.81 CA1 (0.76) CA1CA2CA9CA4CA12
SCHEMBL13740942 0.80 CA2 (1.00) CA1CA2CA9CA4CA12

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-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
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 CA1 11/4885CA2 6/4885CA9 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.

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