SCHEMBL3618809

SCHEMBL3618809

O=[N+]([O-])c1ccc(-c2ccccc2)c(S(=O)(=O)O)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.57
POLB P06746 2/20 0.56
RAB9A P51151 1/20 0.56
PTPRC P08575 3/20 0.49
S100A4 P26447 2/20 0.49
BCHE P06276 1/20 0.49
ACHE P22303 1/20 0.49
CES1 P23141 1/20 0.49
PTGDR2 Q9Y5Y4 1/20 0.48
MYC P01106 1/20 0.46
MAX P61244 1/20 0.46
NT5E P21589 1/20 0.46
ELANE P08246 1/20 0.45
MAPT P10636 2/20 0.44
HSP90AA1 P07900 1/20 0.44
CDK5 Q00535 1/20 0.44
CDK5R1 Q15078 1/20 0.44
NCOA1 Q15788 1/20 0.44
NCOA3 Q9Y6Q9 1/20 0.44
MAPK1 P28482 2/20 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
SCHEMBL11647394 0.88 PTGS2 (0.57) PTGS2POLBRAB9APTPRCS100A4
SCHEMBL11667865 0.87 PTPRC (0.55) PTPRCS100A4BCHEACHECES1
SCHEMBL9706699 0.85 NT5E (0.51) PTGS2POLBRAB9APTPRCS100A4
SCHEMBL3617230 0.84 PTGS2 (0.57) PTGS2POLBRAB9APTPRCS100A4
SCHEMBL8820272 0.84 PTGS2 (0.57) PTGS2POLBRAB9APTPRCS100A4
SCHEMBL11647391 0.81 LMNA (0.48) PTGS2POLBPTPRCS100A4BCHE
SCHEMBL2009412 0.80 ALDH1A1 (0.55) RAB9APTPRCMAPTALDH1A1MEN1
SCHEMBL8820656 0.80 PTGS2 (0.49) PTGS2POLBRAB9APTPRCS100A4
SCHEMBL9798213 0.79 PTGS2 (0.55) PTGS2POLBRAB9APTPRCS100A4
SCHEMBL8382506 0.78 POLB (0.64) PTGS2POLBRAB9APTPRCS100A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100137298-A1 Biaryl Sulfonamides and Methods for Using Same WYETH (US) 2010-06-03 US disclosed
EP-1692124-B1 BIARYL SULFONAMIDES AS MMP INHIBITORS WYETH CORP (US) 2008-10-15 EP disclosed
US-7420001-B2 Biaryl sulfonamides and methods for using same WYETH (US) 2008-09-02 US disclosed
EP-1692124-A1 BIARYL SULFONAMIDES AS MMP INHIBITORS Wyeth (US) 2006-08-23 EP disclosed
WO-2005061477-A1 BIARYL SULFONAMIDES AS MMP INHIBITORS WYETH (US) 2005-07-07 WO disclosed
US-20050143422-A1 Biaryl sulfonamides and methods for using same WYETH (US) 2005-06-30 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 (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-20100137298-A1 Biaryl Sulfonamides and Methods for Using Same STS, MMP3, AADAC PTGS2 483/4885POLB 1554/4885RAB9A 3864/4885
US-20050143422-A1 Biaryl sulfonamides and methods for using same STS, MMP3, AADAC PTGS2 483/4885POLB 1554/4885RAB9A 3864/4885

“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.