SCHEMBL18100211

SCHEMBL18100211

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

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 13/20 0.72
CA2 P00918 13/20 0.72
CA4 P22748 9/20 0.72
CA9 Q16790 8/20 0.72
CA5A P35218 4/20 0.72
CA5B Q9Y2D0 4/20 0.72
CA12 O43570 3/20 0.72
CA3 P07451 3/20 0.72
CA6 P23280 3/20 0.72
CA7 P43166 3/20 0.72
CA13 Q8N1Q1 3/20 0.72
CA14 Q9ULX7 3/20 0.72
MEN1 O00255 1/20 0.72
CA11 O75493 1/20 0.72
THRB P10828 1/20 0.72
BLM P54132 1/20 0.72
KMT2A Q03164 1/20 0.72
SMN1; SMN2 Q16637 1/20 0.72
TDP1 Q9NUW8 1/20 0.72
GLS O94925 1/20 0.46

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
Acetazolamide SCHEMBL2557036 0.84 CA1 (1.00) CA1CA2CA4CA9CA5A
Hydrochloric Acid SCHEMBL10464123 0.84 CA1 (0.70) CA1CA2CA4CA9CA5A
Acetazolamide SCHEMBL23219 0.84 CA1 (1.00) CA1CA2CA4CA9CA5A
SCHEMBL14194327 0.84 CA1 (0.70) CA1CA2CA4CA9CA5A
SCHEMBL19687 0.84 CA1 (0.70) CA1CA2CA4CA9CA5A
Acetazolamide Sodium SCHEMBL40813 0.82 CA1 (0.68) CA1CA2CA4CA9CA5A
Acetazolamide SCHEMBL15513954 0.82 CA1 (0.97) CA1CA2CA4CA9CA5A
SCHEMBL11930741 0.82 CA1 (0.76) CA1CA2CA4CA9CA5A
SCHEMBL10797173 0.82 CA1 (1.00) CA1CA2CA4CA9CA5A
Acetazolamide SCHEMBL1998362 0.82 CA1 (0.97) CA1CA2CA4CA9CA5A

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 6 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
US-20160279084-A1 TARGETED TREATMENT OF ANEROBIC CANCER UNIVERSITY HOSPITALS CLEVELAND MEDICAL CENTER 2016-09-29 US disclosed
US-7592366-B2 Therapeutic compounds ALLERGAN, INC. (US) 2009-09-22 US disclosed
US-20080015231-A1 THERAPEUTIC COMPOUNDS ALLERGAN, INC. 2008-01-17 US 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 (3 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-20160279084-A1 TARGETED TREATMENT OF ANEROBIC CANCER SLC16A3, SLC16A1, SLC16A7 CA1 142/4885CA2 7/4885CA4 8/4885
US-20080015231-A1 THERAPEUTIC COMPOUNDS GOT2, ANXA5, COXFA4L2 CA1 3120/4885CA2 2343/4885CA4 1664/4885
US-20220213047-A1 CARBONIC ANHYDRASE INHIBITORS FOR TREATMENT OF NEISSERIA GONORRHOEAE INFECTION CA4, CA7, CA9 CA1 11/4885CA2 6/4885CA4 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.