SCHEMBL22118520

SCHEMBL22118520

NS(=O)(=O)c1nnc(NC(=O)CN2CCOCC2)s1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 16/20 1.00
▸ CA2 P00918 16/20 1.00
▸ CA9 Q16790 11/20 1.00
▸ KDM4E B2RXH2 1/20 0.59
▸ POLB P06746 1/20 0.59
▸ CA4 P22748 5/20 0.58
▸ CA12 O43570 2/20 0.55
▸ CA3 P07451 2/20 0.55
▸ CA6 P23280 2/20 0.55
▸ CA5A P35218 2/20 0.55
▸ CA7 P43166 2/20 0.55
▸ CA13 Q8N1Q1 2/20 0.55
▸ CA14 Q9ULX7 2/20 0.55
▸ CA5B Q9Y2D0 2/20 0.55

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
SCHEMBL24599301 0.88 CA2 (0.79) CA1CA2CA9CA4CA12
SCHEMBL24599311 0.87 CA2 (0.77) CA1CA2CA9CA4CA12
SCHEMBL24599407 0.85 CA1 (1.00) CA1CA2CA9KDM4ECA4
SCHEMBL29461389 0.79 KDM4E (0.67) CA1CA2CA9KDM4EPOLB
SCHEMBL29601585 0.77 KDM4E (0.80) CA1CA2CA9KDM4EPOLB
SCHEMBL3793947 0.75 CA1 (1.00) CA1CA2CA9CA4CA12
SCHEMBL29601968 0.75 KDM4E (0.98) CA1CA2CA9KDM4EPOLB
SCHEMBL14987175 0.74 KDM4E (0.74) CA1CA2CA9KDM4EPOLB
SCHEMBL10958605 0.74 CA1 (0.74) CA1CA2CA9CA4CA12
Hydrochloric Acid SCHEMBL10446154 0.74 CA1 (0.97) 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 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 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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