SCHEMBL6466443

SCHEMBL6466443

O=S(=O)(O)c1ncc(C(F)(F)F)cc1Cl

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.63
HTT P42858 4/20 0.63
LMNA P02545 2/20 0.63
MAPT P10636 1/20 0.63
L3MBTL1 Q9Y468 1/20 0.49
PLAU P00749 1/20 0.49
KMT2A Q03164 4/20 0.48
GAA P10253 2/20 0.48
KDM4E B2RXH2 2/20 0.48
GLA P06280 1/20 0.48
HPGD P15428 1/20 0.48
MEN1 O00255 2/20 0.47
POLB P06746 1/20 0.47
MAPK1 P28482 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL8431899 0.98 ALDH1A1 (0.61) ALDH1A1HTTLMNAMAPTL3MBTL1
SCHEMBL5592136 0.86 ALDH1A1 (0.63) ALDH1A1HTTLMNAMAPTL3MBTL1
SCHEMBL25374549 0.86 ALDH1A1 (0.63) ALDH1A1HTTLMNAMAPTL3MBTL1
SCHEMBL30567082 0.86 ALDH1A1 (0.63) ALDH1A1HTTLMNAMAPTL3MBTL1
SCHEMBL21800166 0.84 ALDH1A1 (0.61) ALDH1A1HTTLMNAMAPTL3MBTL1
SCHEMBL5819225 0.84 ALDH1A1 (0.61) ALDH1A1HTTLMNAMAPTL3MBTL1
SCHEMBL8431893 0.83 ALDH1A1 (0.60) ALDH1A1HTTLMNAMAPTL3MBTL1
SCHEMBL9207207 0.81 ALDH1A1 (0.58) ALDH1A1HTTLMNAMAPTL3MBTL1
SCHEMBL7675096 0.78 ALDH1A1 (0.55) ALDH1A1HTTLMNAMAPTL3MBTL1
SCHEMBL7672006 0.78 ALDH1A1 (1.00) ALDH1A1HTTLMNAMAPTL3MBTL1

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
US-6855850-B2 Method of manufacturing fluorine compounds, and a method of recovering or regenerating precursors of fluorinating agents DAIKIN INDUSTRIES LTD. (JP) 2005-02-15 US disclosed
US-20030216603-A1 Method of manufacturing fluorine compounds, and a method of recovering or regenerating precursors of fluorinating agents DAIKIN INDUSTRIES LTD. (JP) 2003-11-20 US disclosed
EP-0526849-B1 Substituted N-Fluoropyridiniumsulfonate, intermediates therefor and preparation processes thereof DAIKIN IND LTD (JP) 1999-12-01 EP disclosed
US-5374732-A Chemical intermediates as fluorination agents DAIKIN INDUSTRIES, LTD. (JP) 1994-12-20 US disclosed
EP-0526849-A1 Novel substituted N-Fluoropyridiniumsulfonate, intermediates therefor and preparation processes thereof DAIKIN INDUSTRIES, LTD. (JP) 1993-02-10 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-20030216603-A1 Method of manufacturing fluorine compounds, and a method of recovering or regenerating precursors of fluorinating agents AFF1, AFF2, AFF4 ALDH1A1 1752/4885HTT 883/4885LMNA 2752/4885

“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.