SCHEMBL5893217

SCHEMBL5893217

NS(=O)(=O)c1cccc(-c2ccc(CBr)cc2)c1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA2 P00918 11/20 0.58
CA9 Q16790 10/20 0.58
CA12 O43570 8/20 0.58
CA1 P00915 10/20 0.54
TTK P33981 2/20 0.48
LRRK2 Q5S007 2/20 0.48
CA14 Q9ULX7 2/20 0.47
PTGES2 Q9H7Z7 1/20 0.47
CA4 P22748 1/20 0.46
CA13 Q8N1Q1 1/20 0.45
PDPK1 O15530 1/20 0.45
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44

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
SCHEMBL28032548 0.84 CA2 (0.73) CA2CA9CA12CA1TTK
SCHEMBL5893176 0.83 NR1H2 (0.51)
SCHEMBL7188667 0.83 PTGES2 (0.64) CA2CA9CA12CA1TTK
SCHEMBL5893723 0.83 CA2 (0.58) CA2CA9CA12CA1TTK
SCHEMBL5893410 0.82 CA2 (0.67) CA2CA9CA12CA1CA14
SCHEMBL2181186 0.80 CA2 (0.61) CA2CA9CA12CA1CA14
SCHEMBL1926937 0.80 CA2 (0.67) CA2CA9CA12CA1TTK
SCHEMBL7187259 0.79 CDK8 (0.46) CA2CA9CA12CA1TTK
SCHEMBL7113274 0.79 CA2 (0.68) CA2CA9CA12CA1TTK
SCHEMBL6848937 0.77 CA2 (0.68) CA2CA9CA12CA1TTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7141596-B2 Inhibitors of proteins that bind phosphorylated molecules INCYTE CORPORATION (US) 2006-11-28 US disclosed
US-20050272778-A1 Inhibitors of proteins that bind phosphorylated molecules INCYTE CORPORATION 2005-12-08 US disclosed
WO-2005035551-A2 INHIBITORS OF PROTEINS THAT BIND PHOSPHORYLATED MOLECULES INCYTE CORPORATION (US) 2005-04-21 WO disclosed
EP-1268494-A1 SULFUR SUBSTITUTED ARYLDIFLUOROMETHYLPHOSPHONIC ACIDS AS PTP-1B INHIBITORS Merck Frosst Canada & Co. (CA) 2003-01-02 EP disclosed
US-6498151-B2 PROTEIN TYROSINE PHOSPHATASES INHIBITORS, ESPECIALLY AS ANTIDIABETIC AGENTS MERCK FROSST CANADA & CO. (CA) 2002-12-24 US disclosed
US-20020091104-A1 Aryldifluoromethylphosphonic acids with sulfur-containing substituents as PTP-1B inhibitors MERCK FROSST CANADA LTD. (CA) 2002-07-11 US disclosed
WO-2001070753-A1 SULFUR SUBSTITUTED ARYLDIFLUOROMETHYLPHOSPHONIC ACIDS AS PTP-1B INHIBITORS MERCK FROSST CANADA & CO. (CA) 2001-09-27 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 (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-20050272778-A1 Inhibitors of proteins that bind phosphorylated molecules PPP3CA, PPP5C, PPM1A CA2 3939/4885CA9 4668/4885CA12 4677/4885
US-20020091104-A1 Aryldifluoromethylphosphonic acids with sulfur-containing substituents as PTP-1B inhibitors PTPRF, PTPRS, PTPRO CA2 2577/4885CA9 1481/4885CA12 4526/4885

“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.