SCHEMBL4962907

SCHEMBL4962907

O=C(OS(c1ccccc1)(c1ccccc1)c1ccccc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)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 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 9/20 0.45
CA2 P00918 9/20 0.45
THRB P10828 1/20 0.41
HSD11B1 P28845 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
NR1H2 P55055 2/20 0.36
GAA P10253 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TSHR P16473 2/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL4962506 1.00 CA1 (0.45) CA1CA2THRBHSD11B1HDAC3
SCHEMBL4964420 1.00 CA1 (0.45) CA1CA2THRBHSD11B1HDAC3
SCHEMBL4962467 1.00 CA1 (0.45) CA1CA2THRBHSD11B1HDAC3
SCHEMBL1573977 0.98 CA1 (0.43) CA1CA2THRBHSD11B1HDAC3
SCHEMBL4964033 0.95 HDAC1 (0.39) CA1CA2HSD11B1HDAC3HDAC4
SCHEMBL545781 0.93 HSD11B1 (0.38) CA1CA2HSD11B1NR1H2GAA
SCHEMBL4965786 0.92 CA2 (0.42) CA1CA2THRBHSD11B1HDAC1
SCHEMBL4961881 0.92 CA2 (0.42) CA1CA2THRBHSD11B1HDAC1
SCHEMBL6656491 0.86 HSD11B1 (0.40) HSD11B1NR1H2GAAL3MBTL1TSHR
SCHEMBL4967080 0.86 HSD11B1 (0.39) HSD11B1GAAL3MBTL1TSHRPOLB

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 7 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
EP-1434091-A1 CHEMICAL-AMPLIFICATION-TYPE POSITIVE RADIATION-SENSITIVE RESIN COMPOSITION Clariant International Ltd. (CH) 2004-06-30 EP disclosed
US-20040033438-A1 Chemical-amplication-type positive radiation-sensitive resin composition AZ ELECTRONIC MATERIALS USA CORP. 2004-02-19 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 CA1 2662/4885CA2 1769/4885THRB 3571/4885

“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.