SCHEMBL6467841

SCHEMBL6467841

NS(=O)(=O)c1ccc(-c2c(-c3ccc(Cl)cc3)noc2C(F)(F)F)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 15/20 0.60
PTGS1 P23219 5/20 0.51
CA1 P00915 3/20 0.51
CA2 P00918 3/20 0.51
CA4 P22748 3/20 0.51
CA7 P43166 3/20 0.51
CA12 O43570 2/20 0.51
CA3 P07451 2/20 0.51
CA6 P23280 2/20 0.51
CA5A P35218 2/20 0.51
CA9 Q16790 2/20 0.51
CA13 Q8N1Q1 2/20 0.51
CA14 Q9ULX7 2/20 0.51
CA5B Q9Y2D0 2/20 0.51
MT-CO2 P00403 1/20 0.51
LMNA P02545 1/20 0.51
ADRB2 P07550 1/20 0.51
ADRB1 P08588 1/20 0.51
CYP3A4 P08684 1/20 0.51
ADORA3 P0DMS8 1/20 0.51

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
SCHEMBL6248342 0.88 PTGS2 (0.77) PTGS2PTGS1CA1CA2CA4
SCHEMBL5698365 0.88 PTGS2 (0.77) PTGS2PTGS1CA1CA2CA4
SCHEMBL6736023 0.83 PTGS2 (0.50) PTGS2PTGS1CA1CA2CA4
SCHEMBL6726476 0.82 PTGS2 (0.49) PTGS2PTGS1CA1CA2CA4
SCHEMBL4888365 0.80 PTGS2 (0.78) PTGS2PTGS1CA1CA2CA4
SCHEMBL6728715 0.78 PTGS2 (0.45) PTGS2PTGS1CA1CA2CA4
SCHEMBL22827969 0.75 PTGS2 (1.00) PTGS2PTGS1ESR1ESR2
SCHEMBL4800056 0.75 PTGS2 (1.00) PTGS2PTGS1CA1CA2CA4
SCHEMBL14163959 0.75 PTGS2 (1.00) PTGS2PTGS1CA1CA2CA4
SCHEMBL14267668 0.75 PTGS2 (1.00) PTGS2PTGS1ESR1ESR2

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-20050131028-A1 Methods and compositions for the extended duration treatment of pain, inflammation and inflammation-related disorders PHARMACIA CORPORATION (US) 2005-06-16 US claimed
WO-2005025510-A2 COX-2 SELECTIVE INHIBITOR WITH EXTENDED DURATION PHARMACIA CORPORATION (US) 2005-03-24 WO claimed
US-20050131028-A1 Methods and compositions for the extended duration treatment of pain, inflammation and inflammation-related disorders PHARMACIA CORPORATION (US) 2005-06-16 US disclosed
WO-2005025510-A2 COX-2 SELECTIVE INHIBITOR WITH EXTENDED DURATION PHARMACIA CORPORATION (US) 2005-03-24 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-20050131028-A1 Methods and compositions for the extended duration treatment of pain, inflammation and inflammation-related disorders PTGS2, PTGES2, CNR2 PTGS2 1/4885PTGS1 8/4885CA1 2613/4885

“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.