SCHEMBL24978547

SCHEMBL24978547

CCn1nc(S(N)(=O)=O)cc1CO

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 7/20 0.35
▸ CA2 P00918 7/20 0.35
▸ CA9 Q16790 7/20 0.35
▸ CA12 O43570 2/20 0.33
▸ PTGS2 P35354 2/20 0.32
▸ CA4 P22748 1/20 0.31
▸ CA6 P23280 1/20 0.31
▸ CA5A P35218 1/20 0.31
▸ CA7 P43166 1/20 0.31
▸ CA14 Q9ULX7 1/20 0.31
▸ CA5B Q9Y2D0 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ PTGS1 P23219 1/20 0.30

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
SCHEMBL21963205 0.83 CA1 (0.35) CA1CA2CA9CA12CA4
SCHEMBL22021563 0.82 — —
SCHEMBL20754689 0.81 CA2 (0.32) CA1CA2CA9CA12
SCHEMBL20757369 0.80 TMEM97 (0.33) CA1CA2CA9CA12
SCHEMBL20757595 0.79 CA1 (0.37) CA1CA2CA9CA12PTGS2
SCHEMBL21963189 0.75 CA1 (0.35) CA1CA2CA9CA12PTGS2
SCHEMBL22019984 0.74 CA2 (0.35) CA1CA2CA9CA12CA14
SCHEMBL22019981 0.72 CA2 (0.36) CA1CA2CA9CA12PTGS2
SCHEMBL15746137 0.71 GAA (0.42) ALDH1A1
SCHEMBL27094883 0.70 CA2 (0.38) CA1CA2CA9CA12CA4

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-20230031406-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-02-02 — — 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-20230031406-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 CA1 3665/4885CA2 1245/4885CA9 3039/4885

“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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