SCHEMBL21114539

SCHEMBL21114539

Cc1ccc(S(=O)(=O)OC[C@@H](C)O[C@@H](C)COS(=O)(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.42
STAT3 P40763 1/20 0.41
ALDH1A1 P00352 5/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
GBA1 P04062 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CA9 Q16790 4/20 0.39
CA2 P00918 4/20 0.39
CA1 P00915 4/20 0.39
CA12 O43570 3/20 0.39
CA7 P43166 2/20 0.39
CA3 P07451 1/20 0.39
CA6 P23280 1/20 0.39
CA5A P35218 1/20 0.39
CA5B Q9Y2D0 1/20 0.39
VDR P11473 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL21114486 1.00 GAA (0.42) GAASTAT3ALDH1A1CYP3A4CYP2C9
SCHEMBL21114439 1.00 GAA (0.42) GAASTAT3ALDH1A1CYP3A4CYP2C9
SCHEMBL21114440 1.00 GAA (0.42) GAASTAT3ALDH1A1CYP3A4CYP2C9
SCHEMBL1148936 0.88 GAA (0.41) GAASTAT3ALDH1A1CYP3A4CYP2C9
SCHEMBL13738434 0.88 GAA (0.41) GAASTAT3ALDH1A1CYP3A4CYP2C9
SCHEMBL13737931 0.88 GAA (0.41) GAASTAT3ALDH1A1CYP3A4CYP2C9
SCHEMBL263692 0.88 GAA (0.41) GAASTAT3ALDH1A1CYP3A4CYP2C9
SCHEMBL2337309 0.88 GAA (0.41) GAASTAT3ALDH1A1CYP3A4CYP2C9
SCHEMBL4757045 0.85 GAA (0.45) GAASTAT3ALDH1A1CYP3A4CYP2C9
SCHEMBL777474 0.85 GAA (0.45) GAASTAT3ALDH1A1CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240376099-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF ENDOSOMAL TOLL-LIKE RECEPTORS NOVARTIS AG (CH) 2024-11-14 US disclosed
EP-4059934-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF ENDOSOMAL TOLL-LIKE RECEPTORS Novartis AG (CH) 2022-09-21 EP disclosed
US-20210101902-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF ENDOSOMAL TOLL-LIKE RECEPTORS NOVARTIS AG (CH) 2021-04-08 US disclosed
US-10954233-B2 Compounds and compositions as inhibitors of endosomal toll-like receptors NOVARTIS AG (CH) 2021-03-23 US disclosed
US-20190211009-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF ENDOSOMAL TOLL-LIKE RECEPTORS NOVARTIS INSTITUTE FOR FUNCTIONAL GENOMICS, INC. 2019-07-11 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-20240376099-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF ENDOSOMAL TOLL-LIKE RECEPTORS TLR3, TLR1, TLR4 GAA 182/4885STAT3 1661/4885ALDH1A1 4528/4885
US-20210101902-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF ENDOSOMAL TOLL-LIKE RECEPTORS TLR3, TLR1, TLR4 GAA 182/4885STAT3 1661/4885ALDH1A1 4528/4885
US-20190211009-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF ENDOSOMAL TOLL-LIKE RECEPTORS TLR3, TLR1, TLR4 GAA 182/4885STAT3 1661/4885ALDH1A1 4528/4885
US-10954233-B2 Compounds and compositions as inhibitors of endosomal toll-like receptors TLR3, TLR1, TLR4 GAA 182/4885STAT3 1661/4885ALDH1A1 4528/4885

“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.