SCHEMBL5854020

SCHEMBL5854020

[CH2]COCC(=O)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.52
TDP1 Q9NUW8 3/20 0.52
MAPK1 P28482 3/20 0.52
HPGD P15428 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
KDM4E B2RXH2 1/20 0.52
CYP3A4 P08684 1/20 0.52
ALOX15 P16050 1/20 0.52
CES1 P23141 1/20 0.52
ALDH1A1 P00352 3/20 0.48
GSK3B P49841 2/20 0.48
PTPN1 P18031 2/20 0.48
TRPA1 O75762 1/20 0.48
HIF1A Q16665 1/20 0.48
L3MBTL1 Q9Y468 5/20 0.47
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
CYP1A2 P05177 1/20 0.47

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
SCHEMBL864716 0.87 MAPT (0.61) MAPTTDP1MAPK1HPGDSMN1; SMN2
SCHEMBL3136962 0.81 TDP1 (0.54) MAPTTDP1MAPK1HPGDSMN1; SMN2
Biphenyl SCHEMBL9787041 0.81 L3MBTL1 (0.58) MAPTTDP1MAPK1HPGDSMN1; SMN2
SCHEMBL3194897 0.81 TDP1 (0.54) MAPTTDP1MAPK1HPGDSMN1; SMN2
Phenol SCHEMBL11815882 0.79 TDP1 (0.52) MAPTTDP1MAPK1HPGDSMN1; SMN2
Catechol SCHEMBL9787047 0.79 ESR1 (0.57) MAPTTDP1MAPK1HPGDSMN1; SMN2
SCHEMBL5027527 0.79 MAPT (0.52) MAPTTDP1MAPK1HPGDSMN1; SMN2
SCHEMBL531300 0.79 NPC1 (0.53) MAPTTDP1MAPK1HPGDSMN1; SMN2
SCHEMBL5191365 0.79 ALDH1A1 (0.59) MAPTTDP1MAPK1HPGDSMN1; SMN2
SCHEMBL2387899 0.79 MAPT (0.52) MAPTTDP1MAPK1HPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7087764-B2 Process for producing arylsulfenyl halide SHIONOGI & CO., LTD. (JP) 2006-08-08 US disclosed
US-20030195363-A1 Process for producing arylsulfenyl halide AOKI TSUTOMU (JP) 2003-10-16 US disclosed
EP-1072588-B1 PROCESS FOR PRODUCING ARYLSULFENYL HALIDE SHIONOGI & CO (JP) 2003-07-09 EP disclosed
EP-1072588-A1 PROCESS FOR PRODUCING ARYLSULFENYL HALIDE SHIONOGI & CO., LTD. (JP) 2001-01-31 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-20030195363-A1 Process for producing arylsulfenyl halide ALK, CBR1, CYP1B1 MAPT 4146/4885TDP1 2112/4885MAPK1 228/4885

“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.