SCHEMBL7796481

SCHEMBL7796481

COc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1I

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 16/20 0.82
PTGS1 P23219 11/20 0.79
PDPK1 O15530 3/20 0.66
CYP2C9 P11712 2/20 0.66
PTGES O14684 1/20 0.66
HDAC3 O15379 1/20 0.66
CA12 O43570 1/20 0.66
PDE5A O76074 1/20 0.66
ABCB11 O95342 1/20 0.66
MT-CO2 P00403 1/20 0.66
CA1 P00915 1/20 0.66
CA2 P00918 1/20 0.66
LMNA P02545 1/20 0.66
CA3 P07451 1/20 0.66
CYP3A4 P08684 1/20 0.66
ALOX5 P09917 1/20 0.66
ADORA3 P0DMS8 1/20 0.66
CYP2D6 P10635 1/20 0.66
ADRB3 P13945 1/20 0.66
ALOX15 P16050 1/20 0.66

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
SCHEMBL6013938 0.90 PTGS2 (1.00) PTGS2PTGS1PDPK1CYP2C9PTGES
SCHEMBL213124 0.88 PTGS2 (0.84) PTGS2PTGS1PDPK1CYP2C9PTGES
SCHEMBL6341527 0.88 PTGS2 (1.00) PTGS2PTGS1PDPK1CYP2C9PTGES
SCHEMBL6340118 0.88 PTGS2 (0.82) PTGS2PTGS1PDPK1CYP2C9PTGES
SCHEMBL6349806 0.87 PTGS2 (1.00) PTGS2PTGS1PDPK1CYP2C9PTGES
SCHEMBL6464094 0.86 PTGS2 (0.84) PTGS2PTGS1PDPK1CYP2C9PTGES
SCHEMBL6463281 0.85 PTGS2 (0.82) PTGS2PTGS1PDPK1CYP2C9PTGES
SCHEMBL7798034 0.85 PTGS2 (0.75) PTGS2PTGS1PDPK1CYP2C9PTGES
SCHEMBL7789625 0.84 PTGS2 (0.80) PTGS2PTGS1ABCB11
SCHEMBL6339234 0.84 PTGS2 (0.76) PTGS2PTGS1PDPK1CYP2C9PTGES

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 4 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 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 4/4885PDPK1 3876/4885

“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.