SCHEMBL7796653

SCHEMBL7796653

NS(=O)(=O)c1ccc(-c2nc(C(F)(F)F)oc2-c2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA1 P00915 16/20 0.54
CA2 P00918 16/20 0.54
CA9 Q16790 13/20 0.54
CA12 O43570 10/20 0.54
CA14 Q9ULX7 5/20 0.54
PTGS2 P35354 3/20 0.50
CA4 P22748 3/20 0.50
CA5A P35218 3/20 0.50
CA13 Q8N1Q1 2/20 0.50
CA5B Q9Y2D0 2/20 0.50
CA7 P43166 2/20 0.50
PTGS1 P23219 1/20 0.50
CA3 P07451 1/20 0.50
CA6 P23280 1/20 0.50
KMT2A Q03164 1/20 0.48

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
SCHEMBL7502720 0.85 PTGS2 (0.54) CA1CA2CA9CA12CA14
SCHEMBL7501561 0.85 PTGS2 (0.54) CA1CA2CA9CA12CA14
SCHEMBL8138706 0.84 PTGS2 (0.53) CA1CA2CA9CA12CA14
SCHEMBL7789636 0.84 PTGS2 (0.53) CA1CA2CA9CA12PTGS2
SCHEMBL7799104 0.81 KMT2A (0.72) CA1CA2CA9CA12CA14
SCHEMBL8152990 0.81 CA2 (0.54) CA1CA2CA9CA12PTGS2
SCHEMBL8145237 0.80 PTGS2 (0.51) CA1CA2PTGS2PTGS1
SCHEMBL8152668 0.77 PTGS1 (0.52) CA1CA2CA9CA12PTGS2
SCHEMBL8146656 0.77 PTGS1 (0.51) CA1CA2CA9CA12PTGS2
SCHEMBL15598659 0.76 KMT2A (0.49) PTGS1KMT2A

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 CA1 906/4885CA2 221/4885CA9 1122/4885

“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.