SCHEMBL7808167

SCHEMBL7808167

O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc(Br)c2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.68
CA12 O43570 1/20 0.68
CA9 Q16790 1/20 0.68
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
MAPT P10636 2/20 0.58
LMNA P02545 2/20 0.58
MAPK1 P28482 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
CA1 P00915 1/20 0.56
HSD17B2 P37059 1/20 0.55
HTT P42858 1/20 0.54
FFAR4 Q5NUL3 1/20 0.53
POLB P06746 1/20 0.53
ALDH1A1 P00352 2/20 0.51
KDM4E B2RXH2 1/20 0.51
CYP3A4 P08684 1/20 0.51
HPGD P15428 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51

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
SCHEMBL2243550 0.82 CA2 (0.68) CA2CA12CA9MEN1KMT2A
SCHEMBL4948723 0.82 HTR6 (0.72) CA2CA12CA9MEN1KMT2A
SCHEMBL11438518 0.82 CA2 (0.68) CA2CA12CA9MEN1KMT2A
SCHEMBL31441925 0.82 CA2 (0.68) CA2CA12CA9MEN1KMT2A
SCHEMBL21497057 0.82 CA2 (0.68) CA2CA12CA9MEN1KMT2A
SCHEMBL18739152 0.82 CA2 (0.68) CA2CA12CA9MEN1KMT2A
SCHEMBL2242888 0.81 CA2 (1.00) CA2CA12CA9MEN1KMT2A
SCHEMBL30408871 0.81 IL1RN (0.66) MEN1KMT2ALMNASMN1; SMN2HSD17B2
SCHEMBL5730534 0.81 IL1RN (0.66) MEN1KMT2ALMNASMN1; SMN2HSD17B2
SCHEMBL7577204 0.81 CA2 (0.66) CA2CA12CA9MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120196884-A1 UREA SUBSTITUTED SULPHONAMIDE DERIVATIVES BIOTIE THERAPIES CORPORATION (FI) 2012-08-02 US disclosed
WO-2010146236-A1 UREA SUBSTITUTED SULPHONAMIDE DERIVATIVES BIOTIE THERAPIES CORP. (FI) 2010-12-23 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-20120196884-A1 UREA SUBSTITUTED SULPHONAMIDE DERIVATIVES ITGA1, ITGB1, ITGA2B CA2 2237/4885CA12 4208/4885CA9 2252/4885

“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.