SCHEMBL24599320

SCHEMBL24599320

NS(=O)(=O)c1nnc(NC(=O)c2cccc(C(F)(F)F)c2)s1

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA1 P00915 14/20 0.67
CA2 P00918 14/20 0.67
CA7 P43166 3/20 0.59
CA4 P22748 2/20 0.59
CA9 Q16790 3/20 0.54
CA12 O43570 1/20 0.53
PTGS1 P23219 3/20 0.51
P2RX1 P51575 1/20 0.51
LMNA P02545 1/20 0.51
MEN1 O00255 1/20 0.51
MAPT P10636 1/20 0.51
KMT2A Q03164 1/20 0.51

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
SCHEMBL9795960 0.81 CA2 (1.00) CA1CA2CA7CA4CA9
SCHEMBL6848692 0.79 KMT2A (0.70) CA1CA2CA7CA4LMNA
SCHEMBL17318656 0.77 APOBEC3G (0.58) P2RX1LMNAMEN1KMT2A
SCHEMBL22118515 0.75 CA2 (0.49) CA1CA2CA7CA9CA12
SCHEMBL31669014 0.75 CA2 (0.49) CA1CA2CA7CA9CA12
SCHEMBL13739962 0.74 CA2 (0.74) CA1CA2CA7CA4CA9
SCHEMBL14372366 0.74 CA1 (0.76) CA1CA2CA9CA12PTGS1
SCHEMBL14316971 0.74 CA1 (0.78) CA1CA2CA7CA4CA9
SCHEMBL3974838 0.74 CA1 (0.78) CA1CA2CA7CA4CA9
SCHEMBL6850255 0.74 CA1 (0.69) CA1CA2CA7CA4CA9

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 1 patent. 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

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 6/4885CA7 2/4885

“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.