SCHEMBL7796677

SCHEMBL7796677

Cc1onc(-c2ccc([N+](=O)[O-])cc2)c1-c1ccc(S(N)(=O)=O)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 10/20 0.72
CA2 P00918 9/20 0.72
CA1 P00915 8/20 0.72
CA12 O43570 8/20 0.72
CA9 Q16790 8/20 0.72
CA14 Q9ULX7 6/20 0.72
CA4 P22748 3/20 0.72
CA7 P43166 3/20 0.72
MT-CO2 P00403 3/20 0.72
CA3 P07451 2/20 0.72
CA6 P23280 2/20 0.72
CA5A P35218 2/20 0.72
CA13 Q8N1Q1 2/20 0.72
CA5B Q9Y2D0 2/20 0.72
PTGS1 P23219 2/20 0.72
LMNA P02545 1/20 0.72
ADRB2 P07550 1/20 0.72
ADRB1 P08588 1/20 0.72
CYP3A4 P08684 1/20 0.72
ADORA3 P0DMS8 1/20 0.72

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
SCHEMBL6170420 0.85 PTGS2 (0.82) PTGS2CA2CA1CA12CA9
SCHEMBL28635457 0.84 PTGS2 (0.69) PTGS2CA2CA1CA12CA9
Valdecoxib SCHEMBL3853130 0.84 PTGS2 (1.00) PTGS2CA2CA1CA12CA9
Valdecoxib SCHEMBL3356 0.84 PTGS2 (1.00) PTGS2CA2CA1CA12CA9
SCHEMBL6168344 0.84 PTGS2 (1.00) PTGS2CA2CA1CA12CA9
SCHEMBL14267686 0.83 PTGS2 (1.00) PTGS2CA2CA1CA12CA9
SCHEMBL4888365 0.83 PTGS2 (0.78) PTGS2CA2CA1CA12CA9
SCHEMBL7799111 0.83 PTGS2 (0.78) PTGS2CA2CA1CA12CA9
Valdecoxib SCHEMBL5999213 0.83 PTGS2 (0.97) PTGS2CA2CA1CA12CA9
Valdecoxib SCHEMBL6601157 0.83 PTGS2 (0.97) PTGS2CA2CA1CA12CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20010055565-A1 Method of detecting cyclooxygenase-2 G.D. SEARLE & CO. (US) 2001-12-27 US claimed
US-6045773-A Method of detecting cyclooxygenase-2 G.D. SEARLE & CO. (US) 2000-04-04 US claimed
EP-0859642-A2 METHOD OF DETECTING CYCLOOXYGENASE-2 G.D. SEARLE & CO. (US) 1998-08-26 EP claimed
WO-1997014679-A2 METHOD OF DETECTING CYCLOOXYGENASE-2 G.D. SEARLE & CO. (US) 1997-04-24 WO claimed
US-20010055565-A1 Method of detecting cyclooxygenase-2 G.D. SEARLE & CO. (US) 2001-12-27 US disclosed
US-6045773-A Method of detecting cyclooxygenase-2 G.D. SEARLE & CO. (US) 2000-04-04 US disclosed
EP-0859642-A2 METHOD OF DETECTING CYCLOOXYGENASE-2 G.D. SEARLE & CO. (US) 1998-08-26 EP disclosed
WO-1997014679-A2 METHOD OF DETECTING CYCLOOXYGENASE-2 G.D. SEARLE & CO. (US) 1997-04-24 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-20010055565-A1 Method of detecting cyclooxygenase-2 PTGS2, PTGES2, PTGER2 PTGS2 1/4885CA2 221/4885CA1 906/4885

“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.