SCHEMBL9953134

SCHEMBL9953134

CC(C)(O)CCCS(N)(=O)=O

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.44
ALDH1A1 P00352 1/20 0.41
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
APEX1 P27695 1/20 0.34
KMT2A Q03164 1/20 0.34
CTDSP1 Q9GZU7 1/20 0.34
ARG1 P05089 1/20 0.33

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
SCHEMBL29596201 0.85 CA2 (0.52) CA2ALDH1A1ARG1
SCHEMBL7204059 0.80 CA2 (0.33) CA2ARG1
SCHEMBL26901492 0.78 APP (0.44) CA2ALDH1A1MEN1POLBAPEX1
SCHEMBL8315940 0.77 ARG1 (0.32) CA2ARG1
SCHEMBL2818804 0.76 ALDH1A1 (0.69) CA2ALDH1A1MEN1POLBAPEX1
SCHEMBL13668109 0.73 CA2 (0.37) CA2ARG1
SCHEMBL8314520 0.71 FFAR1 (0.34) CA2ARG1
SCHEMBL6148010 0.70 CA1 (0.37) CA2ARG1
SCHEMBL8313149 0.70 CA2 (0.31) CA2ARG1
SCHEMBL10457263 0.69 CA2 (0.43) CA2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12168653-B2 Sulfonamide derivates as NLRP3 inhibitors INFLAZOME LIMITED (IE) 2024-12-17 US disclosed
US-12030879-B2 Sulfonyl acetamides as NLRP3 inhibitors INFLAZOME LIMITED (IE) 2024-07-09 US disclosed
US-20210002274-A1 NOVEL COMPOUNDS INFLAZOME LIMITED (IE) 2021-01-07 US disclosed
US-20210002274-A1 NOVEL COMPOUNDS INFLAZOME LIMITED (IE) 2021-01-07 US disclosed
US-20200407340-A1 SULFONAMIDE DERIVATES AS NLRP3 INHIBITORS INFLAZOME LIMITED (IE) 2020-12-31 US disclosed
US-20200407340-A1 SULFONAMIDE DERIVATES AS NLRP3 INHIBITORS INFLAZOME LIMITED (IE) 2020-12-31 US disclosed
EP-2655362-A1 HEPATITIS C INHIBITORS AND USES THEREOF Abbvie Inc. (US) 2013-10-30 EP disclosed
WO-2012087833-A1 HEPATITIS C INHIBITORS AND USES THEREOF ABBOTT LABORATORIES (US) 2012-06-28 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 (4 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-12030879-B2 Sulfonyl acetamides as NLRP3 inhibitors NLRP3, NOD1, NLRP1 CA2 624/4885ALDH1A1 1078/4885MEN1 3575/4885
US-20200407340-A1 SULFONAMIDE DERIVATES AS NLRP3 INHIBITORS NLRP3, NOD1, NLRP1 CA2 1163/4885ALDH1A1 1246/4885MEN1 4263/4885
US-20210002274-A1 NOVEL COMPOUNDS NLRP3, NOD1, NLRP1 CA2 1129/4885ALDH1A1 1160/4885MEN1 2685/4885
US-12168653-B2 Sulfonamide derivates as NLRP3 inhibitors NLRP3, NOD1, NLRP1 CA2 1163/4885ALDH1A1 1246/4885MEN1 4263/4885

“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.