SCHEMBL5565731

SCHEMBL5565731

CCc1cc2c(cc1Cl)C=CC(C(F)(F)F)O2

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 19/20 0.48
▸ PTGS1 P23219 12/20 0.48
▸ GRIN2D O15399 1/20 0.34
▸ GRIN3B O60391 1/20 0.34
▸ GRIN1 Q05586 1/20 0.34
▸ GRIN2A Q12879 1/20 0.34
▸ GRIN2B Q13224 1/20 0.34
▸ GRIN2C Q14957 1/20 0.34
▸ GRIN3A Q8TCU5 1/20 0.34

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
SCHEMBL27628933 0.85 PTGS2 (0.41) PTGS2PTGS1
SCHEMBL5565980 0.83 PTGS2 (0.45) PTGS2PTGS1
SCHEMBL7849593 0.81 PTGS2 (0.35) PTGS2PTGS1
SCHEMBL6022329 0.78 PTGS2 (0.52) PTGS2PTGS1
SCHEMBL27648772 0.77 PTGS2 (0.37) PTGS2PTGS1
SCHEMBL5559765 0.74 PTGS2 (0.37) PTGS2PTGS1
SCHEMBL28756592 0.74 PTGS2 (0.39) PTGS2PTGS1
SCHEMBL5566896 0.72 PTGS2 (0.37) PTGS2PTGS1
SCHEMBL6093268 0.70 PTGS2 (0.84) PTGS2PTGS1
SCHEMBL7150452 0.68 POLB (0.39) —

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 6 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-20050101629-A1 Compositions of a chromene cyclooxygenase-2 selective inhibitor and a cholinergic agent for the treatment of reduced blood flow or trauma to the central nervous system PHARMACIA CORPORATION (US) 2005-05-12 — — 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
US-20050009733-A1 Compositions of a cyclooxygenase-2 selective inhibitor and a potassium ion channel modulator for the treatment of central nervous system damage PHARMACIA CORPORATION 2005-01-13 — — 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 (6 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-20050009733-A1 Compositions of a cyclooxygenase-2 selective inhibitor and a potassium ion channel modulator for the treatment of central nervous system damage KCNJ2, KCNN2, KCNK2 PTGS2 4/4885PTGS1 30/4885GRIN2D 165/4885
US-20050101629-A1 Compositions of a chromene cyclooxygenase-2 selective inhibitor and a cholinergic agent for the treatment of reduced blood flow or trauma to the central nervous system ACHE, CHRNA2, CHRM3 PTGS2 23/4885PTGS1 37/4885GRIN2D 1677/4885
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 PTGS2 1/4885PTGS1 2/4885GRIN2D 1183/4885
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 PTGS2 3/4885PTGS1 7/4885GRIN2D 1252/4885
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 PTGS2 31/4885PTGS1 61/4885GRIN2D 2121/4885
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 PTGS2 1/4885PTGS1 2/4885GRIN2D 3217/4885

“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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