SCHEMBL7799104

SCHEMBL7799104

Cc1nc(-c2ccc([N+](=O)[O-])cc2)c(-c2ccc(S(N)(=O)=O)cc2)o1

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.72
PTGS2 P35354 11/20 0.70
PTGS1 P23219 7/20 0.70
CA1 P00915 8/20 0.57
CA2 P00918 8/20 0.57
CA9 Q16790 8/20 0.57
CA12 O43570 6/20 0.57
CA14 Q9ULX7 5/20 0.57
CA13 Q8N1Q1 2/20 0.54
CA4 P22748 2/20 0.54
CA5A P35218 2/20 0.54
CA5B Q9Y2D0 2/20 0.54
CA3 P07451 1/20 0.54
CA6 P23280 1/20 0.54
CA7 P43166 1/20 0.54

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
SCHEMBL10339343 0.89 KMT2A (0.89) KMT2APTGS2PTGS1
SCHEMBL7505993 0.89 PTGS2 (0.86) KMT2APTGS2PTGS1CA1CA2
SCHEMBL5698593 0.84 KMT2A (1.00) KMT2APTGS2PTGS1
SCHEMBL213986 0.84 PTGS2 (0.78) KMT2APTGS2PTGS1CA1CA2
SCHEMBL8551037 0.84 PTGS2 (0.78) KMT2APTGS2PTGS1CA1CA2
SCHEMBL8552519 0.83 PTGS2 (0.76) KMT2APTGS2PTGS1CA1CA2
SCHEMBL7504621 0.83 PTGS2 (0.76) KMT2APTGS2PTGS1CA1CA2
SCHEMBL7505580 0.83 PTGS2 (1.00) KMT2APTGS2PTGS1
SCHEMBL8140711 0.83 PTGS2 (0.76) KMT2APTGS2PTGS1CA1CA2
SCHEMBL7799127 0.83 PTGS2 (0.76) KMT2APTGS2PTGS1CA1CA2

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 KMT2A 3245/4885PTGS2 1/4885PTGS1 4/4885

“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.