SCHEMBL7789636

SCHEMBL7789636

NS(=O)(=O)c1ccc(-c2nc(C(F)(F)F)oc2-c2ccc(O)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 10/20 0.53
PTGS1 P23219 4/20 0.53
CA12 O43570 4/20 0.46
CA2 P00918 4/20 0.46
CA9 Q16790 4/20 0.46
CA1 P00915 2/20 0.46
KIF11 P52732 2/20 0.43
ENPP3 O14638 1/20 0.40
CA7 P43166 1/20 0.40
MEN1 O00255 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39
ALOX15 P16050 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39

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 0.88 PTGS2 (0.54) PTGS2PTGS1CA12CA2CA9
SCHEMBL7501561 0.88 PTGS2 (0.54) PTGS2PTGS1CA12CA2CA9
SCHEMBL8138706 0.87 PTGS2 (0.53) PTGS2PTGS1CA12CA2CA9
SCHEMBL7796653 0.84 CA1 (0.54) PTGS2PTGS1CA12CA2CA9
SCHEMBL8152990 0.84 CA2 (0.54) PTGS2PTGS1CA12CA2CA9
SCHEMBL8145237 0.82 PTGS2 (0.51) PTGS2PTGS1CA2CA1KIF11
SCHEMBL7799127 0.80 PTGS2 (0.76) PTGS2PTGS1CA12CA2CA9
SCHEMBL8152668 0.80 PTGS1 (0.52) PTGS2PTGS1CA12CA2CA9
SCHEMBL8146656 0.80 PTGS1 (0.51) PTGS2PTGS1CA12CA2CA9
SCHEMBL213239 0.77 PTGS2 (0.56) PTGS2PTGS1

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 1/4885PTGS1 4/4885CA12 553/4885

“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.