SCHEMBL7789562

SCHEMBL7789562

NS(=O)(=O)c1ccc(-n2nc(C(F)F)cc2-c2ccc(O)cc2)cc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 19/20 0.78
PTGS1 P23219 14/20 0.78
ABCB11 O95342 2/20 0.65
ALDH1A1 P00352 1/20 0.65
CYP2C9 P11712 2/20 0.54
PTGES O14684 1/20 0.53
HDAC3 O15379 1/20 0.53
PDPK1 O15530 1/20 0.53
CA12 O43570 1/20 0.53
PDE5A O76074 1/20 0.53
MT-CO2 P00403 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
LMNA P02545 1/20 0.53
CA3 P07451 1/20 0.53
CYP3A4 P08684 1/20 0.53
ALOX5 P09917 1/20 0.53
ADORA3 P0DMS8 1/20 0.53
CYP2D6 P10635 1/20 0.53
ADRB3 P13945 1/20 0.53

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
SCHEMBL6352647 0.89 PTGS2 (0.80) PTGS2PTGS1ABCB11ALDH1A1
SCHEMBL8924564 0.88 PTGS2 (0.64) PTGS2PTGS1CYP2C9
SCHEMBL3249718 0.88 PTGS2 (0.95) PTGS2PTGS1ABCB11ALDH1A1CYP2C9
SCHEMBL6339240 0.88 PTGS2 (1.00) PTGS2PTGS1ABCB11ALDH1A1PDPK1
SCHEMBL3243184 0.88 PTGS2 (0.82) PTGS2PTGS1ABCB11ALDH1A1
SCHEMBL213150 0.88 PTGS2 (1.00) PTGS2PTGS1ABCB11ALDH1A1CYP2C9
SCHEMBL212658 0.88 PTGS2 (1.00) PTGS2PTGS1ABCB11ALDH1A1PDPK1
SCHEMBL215341 0.88 PTGS2 (1.00) PTGS2PTGS1ABCB11ALDH1A1CYP2C9
SCHEMBL6339195 0.88 PTGS2 (0.90) PTGS2PTGS1ABCB11ALDH1A1CYP2C9
SCHEMBL5425139 0.87 PTGS2 (0.83) PTGS2PTGS1ABCB11ALDH1A1CYP2C9

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 4/4885ABCB11 3809/4885

“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.