SCHEMBL2125158

SCHEMBL2125158

Cc1cc(=O)c(Oc2ccc(F)cc2F)c(-c2ccc([S+](C)[O-])cc2)o1

nearest known ligand 0.72

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 20/20 0.72
PTGS1 P23219 8/20 0.72

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
SCHEMBL29612602 1.00 PTGS2 (0.72) PTGS2PTGS1
SCHEMBL2127885 1.00 PTGS2 (0.72) PTGS2PTGS1
SCHEMBL29612576 1.00 PTGS2 (0.72) PTGS2PTGS1
SCHEMBL2125161 1.00 PTGS2 (0.72) PTGS2PTGS1
SCHEMBL3912064 0.91 PTGS2 (0.72) PTGS2PTGS1
SCHEMBL29612982 0.89 PTGS2 (0.73) PTGS2PTGS1
SCHEMBL2125358 0.89 PTGS2 (0.73) PTGS2PTGS1
SCHEMBL2127265 0.89 PTGS2 (0.73) PTGS2PTGS1
SCHEMBL29612578 0.89 PTGS2 (0.73) PTGS2PTGS1
SCHEMBL2125355 0.89 PTGS2 (0.73) 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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012052180-A1 COMBINATIONS COMPRISING DHODH INHIBITORS AND COX INHIBITORS ALMIRALL, S.A. (ES) 2012-04-26 WO claimed
EP-2444086-A1 Combinations comprising DHODH inhibitors and COX inhibitors Almirall, S.A. (ES) 2012-04-25 EP claimed
US-7582676-B2 2-phenylpyran-4-one derivatives as selective COX-2 inhibitors LABORATORIOS ALMIRALL, S.A. (ES) 2009-09-01 US claimed
EP-1592680-B9 2-PHENYLPYRAN-4-ONE DERIVATIVES AS SELECTIVE COX-2 INHIBITORS ALMIRALL LAB (ES) 2009-03-25 EP claimed
EP-1592680-B1 2-PHENYLPYRAN-4-ONE DERIVATIVES AS SELECTIVE COX-2 INHIBITORS ALMIRALL LAB (ES) 2008-05-07 EP claimed
US-20060142380-A1 2-Phenylpyran-4-one derivatives as selective cox-2 inhibitors LABORATORIOS ALMIRALL, S.A. (ES) 2006-06-29 US claimed
EP-1592680-A1 2-PHENYLPYRAN-4-ONE DERIVATIVES AS SELECTIVE COX-2 INHIBITORS Almirall Prodesfarma, S.A. (ES) 2005-11-09 EP claimed
WO-2004072058-A1 2-PHENYLPYRAN-4-ONE DERIVATIVES AS SELECTIVE COX-2 INHIBITORS ALMIRALL PRODESFARMA S.A. (ES) 2004-08-26 WO claimed
CN-114159421-B Pharmaceutical composition comprising dimethyl fumarate 阿尔米雷尔有限公司 2023-08-25 CN disclosed
US-11602515-B2 Pharmaceutical compositions comprising dimethyl fumarate ALMIRALL, S.A. (ES) 2023-03-14 US disclosed
CN-114159421-A Pharmaceutical composition comprising dimethyl fumarate 阿尔米雷尔有限公司 2022-03-11 CN disclosed
US-20210330628-A1 Pharmaceutical Compositions Comprising Dimethyl Fumarate ALMIRALL, S.A. (ES) 2021-10-28 US disclosed
EP-3079666-B1 PHARMACEUTICAL COMPOSITIONS COMPRISING DIMETHYL FUMARATE ALMIRALL SA (ES) 2021-02-03 EP disclosed
US-20200197348-A1 Pharmaceutical Compositions Comprising Dimethyl Fumarate ALMIRALL, S.A. (ES) 2020-06-25 US disclosed
EP-1592680-B9 2-PHENYLPYRAN-4-ONE DERIVATIVES AS SELECTIVE COX-2 INHIBITORS ALMIRALL LAB (ES) 2009-03-25 EP disclosed
EP-1592680-B1 2-PHENYLPYRAN-4-ONE DERIVATIVES AS SELECTIVE COX-2 INHIBITORS ALMIRALL LAB (ES) 2008-05-07 EP disclosed
EP-1592680-B1 2-PHENYLPYRAN-4-ONE DERIVATIVES AS SELECTIVE COX-2 INHIBITORS ALMIRALL LAB (ES) 2008-05-07 EP disclosed
US-20060142380-A1 2-Phenylpyran-4-one derivatives as selective cox-2 inhibitors LABORATORIOS ALMIRALL, S.A. (ES) 2006-06-29 US disclosed
EP-1592680-A1 2-PHENYLPYRAN-4-ONE DERIVATIVES AS SELECTIVE COX-2 INHIBITORS Almirall Prodesfarma, S.A. (ES) 2005-11-09 EP disclosed
WO-2004072058-A1 2-PHENYLPYRAN-4-ONE DERIVATIVES AS SELECTIVE COX-2 INHIBITORS ALMIRALL PRODESFARMA S.A. (ES) 2004-08-26 WO 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 (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-20060142380-A1 2-Phenylpyran-4-one derivatives as selective cox-2 inhibitors PTGS2, PTGES2, PTGS1 PTGS2 1/4885PTGS1 3/4885
US-11602515-B2 Pharmaceutical compositions comprising dimethyl fumarate MGAM, SI, FH PTGS2 2276/4885PTGS1 1521/4885
US-20210330628-A1 Pharmaceutical Compositions Comprising Dimethyl Fumarate MGAM, SI, FH PTGS2 2168/4885PTGS1 1359/4885
US-20200197348-A1 Pharmaceutical Compositions Comprising Dimethyl Fumarate MGAM, SI, FH PTGS2 2276/4885PTGS1 1521/4885

“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.