SCHEMBL214099

SCHEMBL214099

O=C(O)C1=Cc2cc(S(=O)(=O)NCCc3ccccc3)ccc2OC1C(F)(F)F

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 13/20 0.54
PTGS1 P23219 7/20 0.54
AKR1C3 P42330 1/20 0.49
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MAPT P10636 2/20 0.46
TAAR1 Q96RJ0 1/20 0.46
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.45

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
SCHEMBL29528338 1.00 PTGS2 (0.54) PTGS2PTGS1AKR1C3ALDH1A1MEN1
SCHEMBL6093446 1.00 PTGS2 (0.54) PTGS2PTGS1AKR1C3ALDH1A1MEN1
SCHEMBL215548 0.90 PTGS2 (0.56) PTGS2PTGS1ALDH1A1MEN1KMT2A
SCHEMBL6092332 0.90 PTGS2 (0.56) PTGS2PTGS1ALDH1A1MEN1KMT2A
SCHEMBL29527819 0.90 PTGS2 (0.56) PTGS2PTGS1ALDH1A1MEN1KMT2A
SCHEMBL7148773 0.85 AKR1C3 (0.44) AKR1C3ALDH1A1MEN1KMT2ANPSR1
SCHEMBL6278037 0.83 PTGS2 (0.56) PTGS2PTGS1
SCHEMBL27455109 0.82 PTGS2 (0.48) PTGS2PTGS1
SCHEMBL6093373 0.82 PTGS2 (0.60) PTGS2PTGS1
SCHEMBL6705323 0.82 PTGS2 (0.55) PTGS2PTGS1

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 304 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9447065-B2 Pharmaceutical composition RAQUALIA PHARMA INC. (JP) 2016-09-20 US claimed
EP-2979695-A1 THERAPEUTIC AGENT FOR EYE DISORDER AskAt Inc. (JP) 2016-02-03 EP claimed
US-20160008317-A1 THERAPEUTIC AGENT FOR OCULAR DISEASE ASKAT INC. (JP) 2016-01-14 US claimed
US-20140256804-A1 PHARMACEUTICAL COMPOSITION RAQUALIA PHARMA INC. (JP) 2014-09-11 US claimed
EP-2769718-A1 MEDICINAL COMPOSITION RaQualia Pharma Inc. (JP) 2014-08-27 EP claimed
EP-1725222-A2 METHODS AND COMPOSITIONS FOR TREATING OR PREVENTING PSYCHIATRIC DISORDERS WITH COX-2 INHIBITORS ALONE AND IN COMBINATION WITH ANTIDEPRESSANT AGENTS Pharmacia Corporation (US) 2006-11-29 EP claimed
EP-1691797-A2 COMBINATION OF CYCLOOXYGENASE-2 INHIBITOR AND PHOSPHODIESTERASE 4 INHIBITOR AND METHOD Pharmacia Corporation (US) 2006-08-23 EP claimed
EP-1575594-A2 COMBINATION OF REBOXETINE AND A CYCLOOXYGENASE-2 INHIBITOR Pharmacia Corporation (US) 2005-09-21 EP claimed
WO-2005084654-A2 METHODS AND COMPOSITIONS FOR TREATING OR PREVENTING PSYCHIATRIC DISORDERS WITH COX-2 INHIBITORS ALONE AND IN COMBINATION WITH ANTIDEPRESSANT AGENTS PHARMACIA CORPORATION (US) 2005-09-15 WO claimed
EP-1539142-A2 USE OF AN AMYLOID BETA VACCINATION IN COMBINATION WITH A SELECTIVE COX-2 INHIBITOR FOR THE TREATMENT OF ALZHEIMER S DISEASE Pharmacia Corporation (US) 2005-06-15 EP claimed
EP-0977748-B1 SUBSTITUTED BENZOPYRAN DERIVATIVES FOR THE TREATMENT OF INFLAMMATION SEARLE & CO (US) 2003-03-26 EP claimed
WO-2003015608-A2 COMBINATION THERAPY FOR THE TREATMENT OF CANCER SUGEN, INC. (US) 2003-02-27 WO claimed
WO-2003015797-A1 COMPOSITIONS FOR THE TREATMENT AND PREVENTION OF PAIN AND INFLAMMATION WITH A CYCLOOXYGENASE-2 SELECTIVE INHIBITOR AND GLUCOSAMINE PHARMACIA CORPORATION (US) 2003-02-27 WO claimed
WO-2002096516-A1 USE OF COMPOSITIONS COMPRISING CYCLOOXYGENASE-2 SELECTIVE INHIBITORS IN COMBINATION WITH RADIATION FOR INHIBITION OR PREVENTION OF CARDIOVASCULAR DISEASE PHARMACIA CORPORATION (US) 2002-12-05 WO claimed
WO-2002085459-A2 ANTIANGIOGENIC COMBINATION THERAPY FOR THE TREATMENT OF CANCER PHARMACIA CORPORATION (US) 2002-10-31 WO claimed
WO-2002078626-A2 THERAPEUTIC COMBINATIONS FOR CARDIOVASCULAR AND INFLAMMATORY INDICATIONS PHARMACIA CORPORATION (US) 2002-10-10 WO claimed
US-20020103141-A1 Antiangiogenic combination therapy for the treatment of cancer PHARMACIA CORPORATION 2002-08-01 US claimed
US-20020077328-A1 Selective cyclooxygenase-2 inhibitors and vasomodulator compounds for generalized pain and headache pain PHARMACIA CORPORATION 2002-06-20 US claimed
WO-2002005799-A2 COMBINATION OF A COX-2 INHIBITOR AND A VASOMODULATOR FOR TREATING PAIN AND HEADACHE PAIN PHARMACIA CORPORATION (US) 2002-01-24 WO claimed
US-6034256-A CYCLOOXYGEASE INHIBITOR G.D. SEARLE & CO. (US) 2000-03-07 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20140256804-A1 PHARMACEUTICAL COMPOSITION CYP2C19, CYP2C9, CYP3A5 PTGS2 36/4885PTGS1 40/4885AKR1C3 555/4885
US-20020077328-A1 Selective cyclooxygenase-2 inhibitors and vasomodulator compounds for generalized pain and headache pain PTGIR, VASP, TRPV2 PTGS2 4/4885PTGS1 8/4885AKR1C3 1686/4885
US-20020103141-A1 Antiangiogenic combination therapy for the treatment of cancer TOP2A, TOP2B, TOP1 PTGS2 4/4885PTGS1 6/4885AKR1C3 1383/4885
US-20160008317-A1 THERAPEUTIC AGENT FOR OCULAR DISEASE ALDH1A2, PDE6C, PDE6A PTGS2 692/4885PTGS1 272/4885AKR1C3 335/4885

“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.