SCHEMBL3511751

SCHEMBL3511751

CC(C)c1ccccc1OS(C)(=O)=O

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.47
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
ACHE P22303 1/20 0.42
LPAR1 Q92633 1/20 0.40
POLB P06746 1/20 0.40
GABRA1 P14867 1/20 0.39
GABRB2 P47870 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CA12 O43570 1/20 0.39
CA9 Q16790 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
SCHEMBL1827268 0.85 CA1 (0.40) L3MBTL1CA1CA2ACHELPAR1
SCHEMBL1827115 0.85 ACHE (0.40) L3MBTL1CA1CA2ACHELPAR1
SCHEMBL1823696 0.83 CA1 (0.42) L3MBTL1CA1CA2ACHELPAR1
SCHEMBL4880333 0.82 CA2 (0.49) L3MBTL1CA1CA2ACHEGABRA1
SCHEMBL27905121 0.82 SLC22A6 (0.42) L3MBTL1CA1CA2ACHELPAR1
SCHEMBL1822664 0.82 CA1 (0.38) L3MBTL1CA1CA2ACHE
SCHEMBL1826155 0.82 TYR (0.41) L3MBTL1CA1CA2ACHEPOLB
SCHEMBL1827334 0.82 TSHR (0.47) L3MBTL1CA1CA2ACHE
SCHEMBL1826953 0.80 CA1 (0.37) L3MBTL1CA1CA2ACHE
SCHEMBL2839036 0.80 MMP2 (0.47) CA1CA2ACHEKMT2A

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
CN-102786486-A Preparation method of thiophenol antioxidant TAIZHOU VOCATIONAL & TECHNICAL COLLEGE 2012-11-21 CN disclosed
US-20100286145-A1 ISOPHTHALAMIDE DERIVATIVES INHIBITING BETA-SECRETASE ACTIVITY COMENTIS, INC. (US) 2010-11-11 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 (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-20100286145-A1 ISOPHTHALAMIDE DERIVATIVES INHIBITING BETA-SECRETASE ACTIVITY BACE1, BACE2, APP L3MBTL1 815/4885CA1 733/4885CA2 3501/4885

“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.