SCHEMBL7799111

SCHEMBL7799111

Cc1onc(-c2ccc(O)cc2)c1-c1ccc(S(N)(=O)=O)cc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 17/20 0.78
PTGS1 P23219 4/20 0.78
MT-CO2 P00403 3/20 0.78
CA12 O43570 2/20 0.78
CA1 P00915 2/20 0.78
CA2 P00918 2/20 0.78
CA9 Q16790 2/20 0.78
LMNA P02545 1/20 0.78
CA3 P07451 1/20 0.78
ADRB2 P07550 1/20 0.78
ADRB1 P08588 1/20 0.78
CYP3A4 P08684 1/20 0.78
ADORA3 P0DMS8 1/20 0.78
CHRM1 P11229 1/20 0.78
ADRA2B P18089 1/20 0.78
CA4 P22748 1/20 0.78
CA6 P23280 1/20 0.78
SLC6A2 P23975 1/20 0.78
PDE4A P27815 1/20 0.78
ADORA1 P30542 1/20 0.78

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
SCHEMBL6170420 0.89 PTGS2 (0.82) PTGS2PTGS1MT-CO2CA12CA1
Valdecoxib SCHEMBL3356 0.87 PTGS2 (1.00) PTGS2PTGS1MT-CO2CA12CA1
Valdecoxib SCHEMBL3853130 0.87 PTGS2 (1.00) PTGS2PTGS1MT-CO2CA12CA1
SCHEMBL6168344 0.87 PTGS2 (1.00) PTGS2PTGS1MT-CO2CA12CA1
Valdecoxib SCHEMBL5999213 0.86 PTGS2 (0.97) PTGS2PTGS1MT-CO2CA12CA1
Valdecoxib SCHEMBL6601157 0.86 PTGS2 (0.97) PTGS2PTGS1MT-CO2CA12CA1
SCHEMBL4888365 0.86 PTGS2 (0.78) PTGS2PTGS1MT-CO2CA12CA1
SCHEMBL14267686 0.86 PTGS2 (1.00) PTGS2PTGS1MT-CO2CA12CA1
SCHEMBL4800858 0.86 PTGS2 (1.00) PTGS2PTGS1MT-CO2CA12CA1
SCHEMBL6168350 0.86 PTGS2 (0.78) PTGS2PTGS1MT-CO2CA12CA1

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 4/4885MT-CO2 39/4885

“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.