SCHEMBL5560514

SCHEMBL5560514

Fc1cc(Br)c2c(c1)C=CC(C(F)(F)F)O2

nearest known ligand 0.47

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ P2RY6 Q15077 2/20 0.47
▸ PTGS2 P35354 3/20 0.31

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
SCHEMBL27705327 0.76 P2RY6 (0.39) P2RY6
SCHEMBL5564879 0.74 PTGS2 (0.36) PTGS2
SCHEMBL5559703 0.71 PTGS2 (0.37) PTGS2
SCHEMBL5566173 0.69 — —
SCHEMBL7849167 0.68 HTR2C (0.35) P2RY6
SCHEMBL5559994 0.68 PTGS2 (0.50) PTGS2
SCHEMBL6091953 0.65 PTGS2 (0.71) P2RY6PTGS2
SCHEMBL1929986 0.65 PTGS2 (0.71) P2RY6PTGS2
SCHEMBL16893648 0.63 PTGS2 (0.57) PTGS2
SCHEMBL5986451 0.62 P2RY6 (0.40) P2RY6PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070149591-A1 Compositions of a cyclooxygenase-2 selective inhibitor administered under hypothermic conditions for the treatment of ischemic mediated central nervous system disorders or injury STEPHENSON DIANE T 2007-06-28 — — US disclosed
US-20050113376-A1 Compositions of a cyclooxygenase-2 selective inhibitor, a xanthine compound and an alcohol for the treatment of ischemic mediated central nervous system disorders or injury PHARMACIA CORPORATION 2005-05-26 — — US disclosed
US-20050075341-A1 Compositions of a cyclooxygenase-2 selective inhibitor and an IKK inhibitor for the treatment of ischemic mediated central nervous system disorders or injury PHARMACIA CORPORATION (US) 2005-04-07 — — US disclosed
US-20050070524-A1 Compositions of a cyclooxygenase-2 selective inhibitor and an anticonvulsant agent for the treatment of central nervous system disorders PHARMACIA CORPORATION 2005-03-31 — — US disclosed
US-20050070543-A1 Compositions of a chromene or phenyl acetic acid cyclooxygenase-2 selective inhibitor and an ACE inhibitor for the treatment of central nervous system damage PHARMACIA CORPORATION 2005-03-31 — — US disclosed
US-20050026902-A1 Methods and compositions for the treatment or prevention of human immunodeficiency virus and related conditions using cyclooxygenase-2 selective inhibitors and antiviral agents PHARMACIA CORPORATION 2005-02-03 — — US disclosed
US-20050026919-A1 Compositions of a cyclooxygenase-2 selective inhibitor and a cholinergic agent for the treatment of reduced blood flow or trauma to the central nervous system PHARMACIA CORPORATION 2005-02-03 — — 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 (7 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-20070149591-A1 Compositions of a cyclooxygenase-2 selective inhibitor administered under hypothermic conditions for the treatment of ischemic mediated central nervous system disorders or injury PTGS2, PTGS1, PTGES2 P2RY6 765/4885PTGS2 1/4885
US-20050113376-A1 Compositions of a cyclooxygenase-2 selective inhibitor, a xanthine compound and an alcohol for the treatment of ischemic mediated central nervous system disorders or injury XDH, PTGS2, PTGS1 P2RY6 417/4885PTGS2 2/4885
US-20050070524-A1 Compositions of a cyclooxygenase-2 selective inhibitor and an anticonvulsant agent for the treatment of central nervous system disorders PTGS2, PTGER2, PTGES2 P2RY6 232/4885PTGS2 1/4885
US-20050026919-A1 Compositions of a cyclooxygenase-2 selective inhibitor and a cholinergic agent for the treatment of reduced blood flow or trauma to the central nervous system ACHE, PTGER2, PTGS2 P2RY6 360/4885PTGS2 3/4885
US-20050070543-A1 Compositions of a chromene or phenyl acetic acid cyclooxygenase-2 selective inhibitor and an ACE inhibitor for the treatment of central nervous system damage ACE, ACE2, AGTR2 P2RY6 2516/4885PTGS2 31/4885
US-20050026902-A1 Methods and compositions for the treatment or prevention of human immunodeficiency virus and related conditions using cyclooxygenase-2 selective inhibitors and antiviral agents PTGS2, PTGS1, PTGES2 P2RY6 1127/4885PTGS2 1/4885
US-20050075341-A1 Compositions of a cyclooxygenase-2 selective inhibitor and an IKK inhibitor for the treatment of ischemic mediated central nervous system disorders or injury IKBKE, IKBKG, IKBKB P2RY6 1739/4885PTGS2 6/4885

“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.

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