SCHEMBL5559993

SCHEMBL5559993

FC(F)(F)C1C=Cc2cc(Cl)cc(Cl)c2O1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 17/20 0.48
▸ PTGS1 P23219 12/20 0.48
▸ CA12 O43570 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ AHR P35869 1/20 0.30

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
SCHEMBL5559994 0.87 PTGS2 (0.50) PTGS2PTGS1CA12CA9
SCHEMBL5559700 0.85 PTGS2 (0.35) PTGS2PTGS1CA12CA9
SCHEMBL5564879 0.84 PTGS2 (0.36) PTGS2PTGS1
SCHEMBL5566588 0.84 PTGS2 (0.50) PTGS2PTGS1CA12CA9
SCHEMBL5981834 0.79 PTGS2 (0.43) PTGS2PTGS1AHR
SCHEMBL5566143 0.77 P2RY6 (0.47) PTGS2PTGS1AHR
SCHEMBL5564388 0.73 PTGS2 (0.47) PTGS2PTGS1AHR
SCHEMBL5794421 0.73 PTGS2 (0.45) PTGS2PTGS1
SCHEMBL7148482 0.73 PTGS2 (0.36) PTGS2PTGS1
SCHEMBL5565980 0.72 PTGS2 (0.45) PTGS2PTGS1AHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3906232-B1 PROCESS FOR THE DIFFERENTIAL SOLUBILITY-DRIVEN ASYMMETRIC TRANSFORMATION OF SUBSTITUTED 2H-CHROMENE-3-CARBOXYLIC ACIDS ASKAT INC (JP) 2023-05-10 — — EP claimed
EP-3817766-A2 COMBINATION THERAPY WITH CGRP ANTAGONISTS AND CLOSTRIDIAL DERIVATIVES Allergan Pharmaceuticals International Limited (IE) 2021-05-12 — — EP claimed
WO-2020008402-A2 COMBINATION THERAPY WITH CGRP ANTAGONISTS AND CLOSTRIDIAL DERIVATIVES ALLERGAN PHARMACEUTICALS INTERNATIONAL LIMITED (IE) 2020-01-09 — — WO claimed
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-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-20050085477-A1 Compositions of a cyclooxygenase-2 selective inhibitor and a serotonin-modulating agent for the treatment of neoplasia PHARMACIA CORPORATION 2005-04-21 — — 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
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 (10 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-20050085477-A1 Compositions of a cyclooxygenase-2 selective inhibitor and a serotonin-modulating agent for the treatment of neoplasia TPH2, TPH1, HTR2A PTGS2 15/4885PTGS1 23/4885CA12 2194/4885
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 30/4885CA12 2047/4885
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 37/4885CA12 628/4885
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 2/4885CA12 1857/4885
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 PTGS2 2/4885PTGS1 3/4885CA12 1559/4885
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 PTGS2 1/4885PTGS1 4/4885CA12 680/4885
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 7/4885CA12 978/4885
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 61/4885CA12 303/4885
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 2/4885CA12 1544/4885
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 PTGS2 6/4885PTGS1 10/4885CA12 3994/4885

“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.

Send feedback