SCHEMBL4596394

SCHEMBL4596394

O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.66
CA1 P00915 2/20 0.66
FFAR4 Q5NUL3 1/20 0.65
CA12 O43570 1/20 0.65
CA9 Q16790 1/20 0.65
KMT2A Q03164 6/20 0.59
MEN1 O00255 5/20 0.59
KDM4E B2RXH2 1/20 0.59
ALDH1A1 P00352 1/20 0.59
CYP3A4 P08684 1/20 0.59
HPGD P15428 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
MAPT P10636 4/20 0.58
LMNA P02545 3/20 0.58
ATM Q13315 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
MAPK1 P28482 2/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
ALOX15 P16050 1/20 0.53
HDAC1 Q13547 1/20 0.53

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
SCHEMBL7498033 0.87 CA2 (0.83) CA2CA1FFAR4CA12CA9
SCHEMBL14601685 0.87 MEN1 (0.65) CA2CA1KMT2AMEN1ALDH1A1
SCHEMBL5225855 0.87 FFAR4 (0.64) CA2CA1FFAR4CA12CA9
SCHEMBL5228757 0.85 ALDH1A1 (0.70) CA2CA1KMT2AMEN1ALDH1A1
SCHEMBL27912548 0.83 FFAR4 (0.69) CA2FFAR4CA12CA9KMT2A
SCHEMBL21247922 0.83 CA2 (0.71) CA2CA1FFAR4CA12CA9
SCHEMBL4574130 0.83 CA2 (0.71) CA2CA1FFAR4CA12CA9
SCHEMBL27095243 0.81 FFAR4 (0.81) CA2CA1FFAR4CA12CA9
SCHEMBL5597996 0.81 MEN1 (0.63) CA2CA1FFAR4CA12CA9
SCHEMBL23832730 0.81 MOGAT2 (0.48) CA2CA1FFAR4KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080207632-A1 PROTEIN KINASE INHIBITORS SUPERGEN, INC. (US) 2008-08-28 US disclosed
US-20080207632-A1 PROTEIN KINASE INHIBITORS SUPERGEN, INC. (US) 2008-08-28 US disclosed
WO-2008055233-A1 PROTEIN KINASE INHIBITORS SUPERGEN, INC. (US) 2008-05-08 WO 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-20080207632-A1 PROTEIN KINASE INHIBITORS ERBB3, ERBB2, AXL CA2 1825/4885CA1 3473/4885FFAR4 3830/4885

“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.