SCHEMBL29927239

SCHEMBL29927239

Cc1cc(C(C)(C)O)ccc1S(N)(=O)=O

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDIA6 Q15084 1/20 0.49
ALDH1A1 P00352 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ESR1 P03372 2/20 0.39
KDM4E B2RXH2 1/20 0.39
CA2 P00918 6/20 0.39
CA1 P00915 5/20 0.39
CA7 P43166 1/20 0.39
HSD11B1 P28845 1/20 0.37
PKM P14618 1/20 0.37
LMNA P02545 1/20 0.36
CA9 Q16790 3/20 0.36
LDHA P00338 1/20 0.36
CA5A P35218 1/20 0.36
P2RX4 Q99571 1/20 0.36
PTGS2 P35354 1/20 0.35
GLO1 Q04760 1/20 0.35
ESR2 Q92731 1/20 0.34

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
SCHEMBL19507910 1.00 PDIA6 (0.49) PDIA6ALDH1A1L3MBTL1ESR1KDM4E
SCHEMBL20698753 0.85 L3MBTL1 (0.38) PDIA6ALDH1A1L3MBTL1ESR1CA2
SCHEMBL15450300 0.84 PDIA6 (0.51) PDIA6ALDH1A1L3MBTL1KDM4ECA2
SCHEMBL29087836 0.83 CA2 (0.44) ALDH1A1KDM4ECA2CA1CA7
SCHEMBL29927632 0.81 CA2 (0.41) CA2CA1HSD11B1PKMPTGS2
SCHEMBL19507908 0.81 CA2 (0.41) CA2CA1HSD11B1PKMPTGS2
SCHEMBL6191403 0.81 PDIA6 (0.49) PDIA6L3MBTL1CA2CA1CA7
SCHEMBL29458370 0.81 PDIA6 (0.49) PDIA6L3MBTL1CA2CA1CA7
SCHEMBL25033994 0.79 L3MBTL1 (0.33) PDIA6L3MBTL1ESR1CA2CA1
SCHEMBL29927210 0.78 HSD11B1 (0.39) CA2CA1HSD11B1PKMCA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11718631-B2 Sulphonamides and compositions thereof for treating conditions associated with NLRP activity NOVARTIS AG (CH) 2023-08-08 US disclosed
US-20220387397-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2022-12-08 US disclosed
US-20220340591-A1 SULPHONAMIDES AND COMPOSITIONS THEREOF FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2022-10-27 US disclosed
US-11447460-B2 Compounds and compositions for treating conditions associated with NLRP activity NOVARTIS AG (CH) 2022-09-20 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 (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-20220387397-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 PDIA6 1915/4885ALDH1A1 2217/4885L3MBTL1 4729/4885
US-20220340591-A1 SULPHONAMIDES AND COMPOSITIONS THEREOF FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 PDIA6 1510/4885ALDH1A1 1237/4885L3MBTL1 4719/4885
US-11718631-B2 Sulphonamides and compositions thereof for treating conditions associated with NLRP activity NLRP1, NLRP3, NOD1 PDIA6 1510/4885ALDH1A1 1237/4885L3MBTL1 4719/4885
US-11447460-B2 Compounds and compositions for treating conditions associated with NLRP activity NLRP1, NLRP3, NOD1 PDIA6 1881/4885ALDH1A1 2262/4885L3MBTL1 4732/4885

“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.