SCHEMBL4962841

SCHEMBL4962841

Cc1ccc([S+](c2ccc(C)cc2)c2ccc(C)cc2)cc1.O=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.45
HDAC1 Q13547 2/20 0.40
HDAC7 Q8WUI4 2/20 0.40
HDAC8 Q9BY41 2/20 0.40
CA2 P00918 11/20 0.37
THRB P10828 1/20 0.36
CA1 P00915 10/20 0.35
MEN1 O00255 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MAPT P10636 1/20 0.32
HDAC6 Q9UBN7 1/20 0.31

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
SCHEMBL4964156 0.94 GAA (0.41) GAAHDAC1HDAC7HDAC8CA2
SCHEMBL4961195 0.94 GAA (0.41) GAAHDAC1HDAC7HDAC8CA2
SCHEMBL4962900 0.84 THRB (0.42) HDAC1HDAC7HDAC8CA2THRB
SCHEMBL4962404 0.84 THRB (0.42) HDAC1HDAC7HDAC8CA2THRB
SCHEMBL4962222 0.84 THRB (0.42) HDAC1HDAC7HDAC8CA2THRB
SCHEMBL4962460 0.84 THRB (0.42) HDAC1HDAC7HDAC8CA2THRB
SCHEMBL29745968 0.83 PDK1 (0.38) HDAC1CA2THRBCA1MEN1
SCHEMBL1573975 0.82 THRB (0.39) HDAC1HDAC7HDAC8CA2THRB
SCHEMBL29746113 0.82 THRB (0.39) HDAC1HDAC7HDAC8CA2THRB
Trifluoroacetic Acid SCHEMBL3285168 0.81 MAPT (0.41) GAAHDAC1HDAC7HDAC8CA2

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
EP-1314725-B1 SULFONIUM SALT COMPOUND WAKO PURE CHEM IND LTD (JP) 2008-03-19 EP claimed
EP-1314725-B1 SULFONIUM SALT COMPOUND WAKO PURE CHEM IND LTD (JP) 2008-03-19 EP disclosed
US-6924323-B2 Sulfonium salt compound WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2005-08-02 US disclosed
US-20040033434-A1 Sulfonium salt compound FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2004-02-19 US disclosed
EP-1314725-A1 SULFONIUM SALT COMPOUND Wako Pure Chemical Industries, Ltd. (JP) 2003-05-28 EP 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-20040033434-A1 Sulfonium salt compound SPIN1, RER1, SPIN2B GAA 4471/4885HDAC1 785/4885HDAC7 1732/4885

“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.