SCHEMBL5698589

SCHEMBL5698589

CCCc1c(C(F)(F)F)nn(-c2ccc(S(N)(=O)=O)cc2)c1-c1ccc(F)cc1

nearest known ligand 0.69

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 15/20 0.69
PTGS1 P23219 12/20 0.69
PDPK1 O15530 2/20 0.49
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
CA4 P22748 2/20 0.49
CA9 Q16790 2/20 0.49
CHRNA7 P36544 1/20 0.48

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
SCHEMBL8641056 0.88 PTGS2 (0.61) PTGS2PTGS1CA1CA2CA4
SCHEMBL8989633 0.87 PTGS2 (0.64) PTGS2PTGS1PDPK1CA1CA2
SCHEMBL8638794 0.87 PTGS2 (0.60) PTGS2PTGS1CA1CA2CA4
SCHEMBL8639285 0.85 PTGS2 (0.59) PTGS2PTGS1CA1CA2CA4
SCHEMBL8635868 0.85 PTGS2 (0.58) PTGS2PTGS1CA1CA2CA4
SCHEMBL8989413 0.83 PTGS2 (0.57) PTGS2PTGS1CA1CA2CA4
SCHEMBL6013911 0.83 PTGS2 (0.81) PTGS2PTGS1PDPK1CA1CA2
SCHEMBL6268681 0.83 PTGS2 (0.47) PTGS2PTGS1
SCHEMBL6341663 0.83 PTGS2 (0.82) PTGS2PTGS1PDPK1CA1CA2
SCHEMBL8641301 0.82 PTGS2 (0.62) PTGS2PTGS1CA1CA2CA4

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5466823-A Antiinflammatory agents; FDA Orange book listed patent for Celebrex G.D. SEARLE & CO. (US) 1995-11-14 US claimed
US-20060167075-A1 Modulators of FAAH IRONWOOD PHARMACEUTICALS, INC. 2006-07-27 US disclosed
EP-1682143-A2 COMBINATIONS COMPRISING AN HSP90 INHIBITOR AND A PHOPHODIESTERASE INHIBITOR FOR TREATING OR PREVENTING NEOPLASIA Pharmacia Corporation (US) 2006-07-26 EP disclosed
WO-2005041879-A2 COMBINATIONS COMPRISING AN Hsp90 INHIBITOR AND A PHOPHODIESTERASE INHIBITOR FOR TREATING OR PREVENTING NEOPLASIA PHARMACIA CORPORATION (US) 2005-05-12 WO disclosed
US-5563165-A PROSTAGLANDIN INHIBITOR; FDA ORANGE BOOK LISTED PATENT FOR CELEBREX G. D. SEARL & CO. (US) 1996-10-08 US disclosed
US-5521207-A Substituted pyrazolyl benzenesulfonamide for the treatment of inflammation G.D. SEARLE & CO. (US) 1996-05-28 US disclosed
US-5516907-A ANTIINFLAMMATORY AGENTS G.D. SEARLE & CO. (US) 1996-05-14 US disclosed
US-5508426-A ANTIARTHRITIC AGENT G. D. SEARLE & CO. (US) 1996-04-16 US disclosed
US-5466823-A Antiinflammatory agents; FDA Orange book listed patent for Celebrex G.D. SEARLE & CO. (US) 1995-11-14 US 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-20060167075-A1 Modulators of FAAH FAAH, FAAH2, HCRTR2 PTGS2 107/4885PTGS1 73/4885PDPK1 2766/4885

“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.