SCHEMBL22002811

SCHEMBL22002811

Cc1nc(C)c(S(=N)(N)=O)s1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.33
KIT P10721 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
LMNA P02545 3/20 0.32
HTT P42858 1/20 0.32
PTGS2 P35354 5/20 0.31
PTGS1 P23219 4/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
CHRM5 P08912 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL50995 0.85 CA12 (0.40) GAAKITCA12CA1CA2
SCHEMBL21993160 0.81 GAA (0.34) GAAKITLMNASMN1; SMN2TDP1
SCHEMBL21993159 0.77
SCHEMBL20904182 0.77 CA1 (0.38) GAACA1CA2
SCHEMBL1640359 0.76 ALDH1A1 (0.34) GAAKITCA12CA2CA9
SCHEMBL2353902 0.74 GAA (0.35) GAAKITLMNASMN1; SMN2TDP1
SCHEMBL4902068 0.74 TP53 (0.34) GAAKITSMN1; SMN2CHRM5ALDH1A1
SCHEMBL415793 0.73 KIT (0.40) GAAKITCA12CA1CA2
SCHEMBL21993158 0.73 CHRM5 (0.35) GAACHRM5
Fluoride SCHEMBL27351745 0.72 GAA (0.34) GAAKITLMNASMN1; SMN2TDP1

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
EP-3440063-B1 AMINOTHIAZOLE DERIVATIVES USEFUL AS ANTIVIRAL AGENTS INNOVATIVE MOLECULES GMBH (DE) 2020-08-05 EP disclosed
US-10654816-B2 Compounds and compositions for treating conditions associated with NLRP activity NOVARTIS INFLAMMASOME RESEARCH, INC. (US) 2020-05-19 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-10654816-B2 Compounds and compositions for treating conditions associated with NLRP activity NLRP1, NLRP3, NOD1 GAA 1444/4885KIT 3641/4885CA12 2839/4885

“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.