SCHEMBL6940864

SCHEMBL6940864

Cc1ccc(S(=O)(=O)Oc2ccco2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.45
KEAP1 Q14145 1/20 0.45
NFE2L2 Q16236 1/20 0.45
CA12 O43570 2/20 0.45
CA2 P00918 2/20 0.45
KMT2A Q03164 4/20 0.44
GAA P10253 3/20 0.44
MEN1 O00255 3/20 0.44
ESR1 P03372 1/20 0.44
ESR2 Q92731 1/20 0.44
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.42
VDR P11473 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
ALDH1A1 P00352 3/20 0.39
MAPT P10636 2/20 0.39
CA1 P00915 1/20 0.38
CA3 P07451 1/20 0.38

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
SCHEMBL6935699 0.74 CA12 (0.37) POLBCA12CA2KMT2ASMN1; SMN2
SCHEMBL4126086 0.71 MEN1 (0.60) CA12CA2KMT2AGAAMEN1
SCHEMBL18179825 0.71 MEN1 (0.60) CA12CA2KMT2AGAAMEN1
SCHEMBL9852204 0.71 MEN1 (0.60) CA12CA2KMT2AGAAMEN1
SCHEMBL346667 0.71 HTT (0.59) KEAP1NFE2L2CA12CA2KMT2A
SCHEMBL9582643 0.70 KEAP1 (0.43) KEAP1NFE2L2CA12CA2KMT2A
SCHEMBL5083041 0.70 MEN1 (0.58) KEAP1NFE2L2CA12CA2KMT2A
Iodide SCHEMBL22068772 0.70 CA2 (0.59) CA12CA2KMT2AMEN1LMNA
SCHEMBL10992653 0.70 MMP1 (0.39) POLBKEAP1KMT2AGAAMEN1
SCHEMBL188762 0.70 MMP1 (0.35) ALDH1A1CA1CA9

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1167372-B1 2,2-(Diaryl)vinylphosphine compound, palladium catalyst thereof, and process for producing arylamine, diaryl, or arylalkyne with the catalyst TAKASAGO PERFUMERY CO LTD (JP) 2003-12-10 EP disclosed
US-6455720-B1 AS CATALYSTS TAKASAGO INTERNATIONAL CORPORATION (JP) 2002-09-24 US disclosed
US-20020058837-A1 2,2 (Diarlyl) Vinylphosphine compound, palladium catalyst thereof, and process for producing arylamine, diaryl, or arylalkyne with the catalyst TAKASAGO INTERNATIONAL CORPORATION (JP) 2002-05-16 US disclosed
US-6365776-B1 FROM ORGANOHALOGEN COMPOUND AND AMINE USING PALLADIUM COMPOUND CATALYST AND PROMOTER TAKASAGO INTERNATIONAL CORPORATION (JP) 2002-04-02 US disclosed
US-20020035295-A1 PROCESS FOR PRODUCING AROMATIC AMINES TAKASAGO INTERNATIONAL CORPORATION 2002-03-21 US disclosed
EP-1167372-A1 2,2-(Diaryl)vinylphosphine compound, palladium catalyst thereof, and process for producing arylamine, diaryl, or arylalkyne with the catalyst Takasago International Corporation (JP) 2002-01-02 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 (2 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-20020035295-A1 PROCESS FOR PRODUCING AROMATIC AMINES TYR, DDC, PNMT POLB 2990/4885KEAP1 559/4885NFE2L2 446/4885
US-20020058837-A1 2,2 (Diarlyl) Vinylphosphine compound, palladium catalyst thereof, and process for producing arylamine, diaryl, or arylalkyne with the catalyst DDT, PDCD11, PLD2 POLB 1957/4885KEAP1 468/4885NFE2L2 420/4885

“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.