SCHEMBL21114482

SCHEMBL21114482

Cc1ccc(S(=O)(=O)OC[C@H](C)OCCOS(=O)(=O)c2ccccc2C)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA9 Q16790 1/20 0.38
DHODH Q02127 1/20 0.35
VDR P11473 1/20 0.35
KMT2A Q03164 4/20 0.34
MEN1 O00255 3/20 0.34
CYP24A1 Q07973 1/20 0.33
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33
ALDH1A1 P00352 6/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
STAT3 P40763 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
KDM4E B2RXH2 1/20 0.32
F2 P00734 1/20 0.32
MAPT P10636 1/20 0.32
XBP1 P17861 1/20 0.32

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
SCHEMBL7809011 0.88 CA9 (0.45) CA12CA1CA9DHODHVDR
SCHEMBL23160909 0.88 CA9 (0.45) CA12CA1CA9DHODHVDR
SCHEMBL28577594 0.87 CA12 (0.43) CA12CA1CA9VDRKMT2A
SCHEMBL25532862 0.82 CA9 (0.44) CA12CA1CA9DHODHVDR
SCHEMBL25532882 0.82 CA9 (0.44) CA12CA1CA9DHODHVDR
SCHEMBL4685926 0.81 CA12 (0.37) CA12CA1CA9DHODHVDR
SCHEMBL14827580 0.80 CA9 (0.43) CA12CA1CA9DHODHVDR
SCHEMBL13309556 0.79 CA12 (0.43) CA12CA1CA9DHODHVDR
SCHEMBL9765834 0.79 KMT2A (0.41) KMT2AMEN1ALDH1A1SMN1; SMN2NPSR1
SCHEMBL9261226 0.79 CA12 (0.41) CA12CA1CA9DHODHVDR

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
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 (2 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-20190211009-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF ENDOSOMAL TOLL-LIKE RECEPTORS TLR3, TLR1, TLR4 CA12 4716/4885CA1 4465/4885CA9 4137/4885
US-10954233-B2 Compounds and compositions as inhibitors of endosomal toll-like receptors TLR3, TLR1, TLR4 CA12 4716/4885CA1 4465/4885CA9 4137/4885

“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.