SCHEMBL4965540

SCHEMBL4965540

O=C(OS(c1ccccc1)(c1ccccc1)c1ccccc1)c1c(F)c(F)c(F)c(F)c1C(=O)OS(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.42
HTT P42858 3/20 0.39
TP53 P04637 3/20 0.39
LMNA P02545 2/20 0.39
MAPK1 P28482 1/20 0.39
TSHR P16473 2/20 0.39
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
CA1 P00915 5/20 0.36
CA2 P00918 5/20 0.36
SMN1; SMN2 Q16637 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
HPGD P15428 1/20 0.33
F2 P00734 1/20 0.33
HSD11B1 P28845 1/20 0.33
CA12 O43570 1/20 0.33
CA7 P43166 1/20 0.33
CA13 Q8N1Q1 1/20 0.33

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
SCHEMBL4964655 0.96 GAA (0.42) GAAHTTTP53LMNAMAPK1
SCHEMBL4964121 0.81 KMT2A (0.38) GAAHTTLMNAKMT2AMEN1
SCHEMBL4961633 0.76 HSD11B1 (0.50) HTTLMNAMAPK1KMT2AMEN1
SCHEMBL4962410 0.76 HPGD (0.50) GAALMNAKMT2AMEN1TDP1
SCHEMBL107075 0.76 ALDH1A1 (0.42) LMNATSHRKMT2ACA1CA2
SCHEMBL108999 0.76 LMNA (0.54) TP53LMNAMAPK1TSHRKMT2A
SCHEMBL107593 0.76 LMNA (0.48) TP53LMNAMAPK1TSHRKMT2A
SCHEMBL105291 0.73 TSHR (0.44) LMNATSHRCA1CA2SMN1; SMN2
SCHEMBL105014 0.73 TSHR (0.44) LMNATSHRKMT2ACA1CA2
SCHEMBL4963383 0.73 PKM (0.54) GAAKMT2AMEN1HPGDKAT6A

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 4471/4885HTT 1461/4885TP53 4109/4885

“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.