SCHEMBL4259052

SCHEMBL4259052

COc1ccc(/C=C/c2ccc(S(N)(=O)=O)cc2)cc1OC

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.79
PTGS2 P35354 6/20 0.68
CA12 O43570 1/20 0.66
CA1 P00915 1/20 0.66
CA9 Q16790 1/20 0.66
PTGS1 P23219 3/20 0.63
CYP19A1 P11511 2/20 0.63
CYP1A1 P04798 4/20 0.60
CYP1B1 Q16678 3/20 0.60
CYP1A2 P05177 2/20 0.60
TUBB4A P04350 1/20 0.60
TUBB P07437 1/20 0.60
TUBA3C P0DPH7 1/20 0.60
TUBA1B P68363 1/20 0.60
TUBA4A P68366 1/20 0.60
TUBB4B P68371 1/20 0.60
TUBB3 Q13509 1/20 0.60
TUBB2A Q13885 1/20 0.60
TUBB8 Q3ZCM7 1/20 0.60
TUBA3E Q6PEY2 1/20 0.60

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
SCHEMBL4259055 1.00 CA2 (0.79) CA2PTGS2CA12CA1CA9
SCHEMBL4258547 0.85 CYP1A1 (0.62) CA2PTGS2PTGS1CYP19A1CYP1A1
SCHEMBL4258548 0.85 CYP1A1 (0.62) CA2PTGS2PTGS1CYP19A1CYP1A1
SCHEMBL9173364 0.82 CYP1A1 (0.84) PTGS2PTGS1CYP19A1CYP1A1CYP1B1
SCHEMBL9173377 0.82 CYP1A1 (0.84) PTGS2PTGS1CYP19A1CYP1A1CYP1B1
SCHEMBL4255535 0.81 CA2 (0.55) CA2PTGS2CA12CA1CA9
SCHEMBL4255541 0.81 CA2 (0.55) CA2PTGS2CA12CA1CA9
SCHEMBL2007287 0.81 POLB (0.70) CA2PTGS2CA12CA1CA9
SCHEMBL8783800 0.80 CA2 (1.00) CA2CA12CA1CA9KDM4E
SCHEMBL8783810 0.80 CA2 (1.00) CA2CA12CA1CA9KDM4E

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-7629375-B2 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods JOHNSON & JOHNSON CONSUMER COMPANIES, INC. (US) 2009-12-08 US disclosed
US-20060178356-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods GALILEO PHARMACEUTICALS, INC. 2006-08-10 US disclosed
US-20050142155-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods JOHNSON & JOHNSON CONSUMER INC. 2005-06-30 US disclosed
US-20050113416-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods GALILEO PHARMACEUTICALS, INC. 2005-05-26 US disclosed
US-20030073712-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods JOHNSON & JOHNSON CONSUMER COMPANIES, INC. 2003-04-17 US 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 (4 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-20050142155-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods HSF1, HMOX1, NQO1 CA2 4114/4885PTGS2 181/4885CA12 4502/4885
US-20030073712-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods HSF1, HMOX1, NQO1 CA2 4114/4885PTGS2 181/4885CA12 4502/4885
US-20050113416-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods HSF1, HMOX1, NQO1 CA2 4114/4885PTGS2 181/4885CA12 4502/4885
US-20060178356-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods HSF1, HMOX1, NQO1 CA2 4114/4885PTGS2 181/4885CA12 4502/4885

“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.