SCHEMBL2126815

SCHEMBL2126815

Cc1ccc(-c2ncc(Cl)cc2-c2ccc([S@@+](C)[O-])cc2)cn1

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 18/20 0.65
▸ PTGS1 P23219 9/20 0.65
▸ ABCC4 O15439 1/20 0.65
▸ ABCB11 O95342 1/20 0.65
▸ PDE4D Q08499 1/20 0.65
▸ MAPK14 Q16539 1/20 0.65
▸ KDM1A O60341 1/20 0.36
▸ TDO2 P48775 1/20 0.33

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
SCHEMBL2126090 1.00 PTGS2 (0.65) PTGS2PTGS1ABCC4ABCB11PDE4D
SCHEMBL29612911 1.00 PTGS2 (0.65) PTGS2PTGS1ABCC4ABCB11PDE4D
SCHEMBL2126117 1.00 PTGS2 (0.65) PTGS2PTGS1ABCC4ABCB11PDE4D
SCHEMBL29612620 1.00 PTGS2 (0.65) PTGS2PTGS1ABCC4ABCB11PDE4D
SCHEMBL29612604 1.00 PTGS2 (0.65) PTGS2PTGS1ABCC4ABCB11PDE4D
SCHEMBL7179556 0.85 PTGS2 (0.67) PTGS2PTGS1ABCC4ABCB11PDE4D
SCHEMBL8291544 0.84 PTGS2 (0.46) PTGS2PTGS1ABCC4ABCB11PDE4D
SCHEMBL17878838 0.83 PTGS2 (0.71) PTGS2PTGS1ABCC4ABCB11PDE4D
SCHEMBL5551731 0.81 PTGS2 (0.67) PTGS2PTGS1ABCC4ABCB11PDE4D
SCHEMBL14422875 0.81 PTGS2 (0.67) PTGS2PTGS1ABCC4ABCB11PDE4D

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 21 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-20060229338-A1 2,3'-bipyridines derivatives as selective cox-2 inhibitors LABORATORIOS ALMIRALL, S.A. (ES) 2006-10-12 — — US claimed
JP-2006517562-A — — 2006-07-27 — — JP claimed
EP-1592666-A1 2,3 -BIPYRIDINES DERIVATIVES AS SELECTIVE COX-2 INHIBITORS Almirall Prodesfarma, S.A. (ES) 2005-11-09 — — EP claimed
WO-2004072037-A1 2,3'-BIPYRIDINES DERIVATIVES AS SELECTIVE COX-2 INHIBITORS ALMIRALL PRODESFARMA S.A. (ES) 2004-08-26 — — WO claimed
US-11602515-B2 Pharmaceutical compositions comprising dimethyl fumarate ALMIRALL, S.A. (ES) 2023-03-14 — — US 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-3656379-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING DIMETHYL FUMARATE Almirall S.A. (ES) 2020-05-27 — — EP disclosed
EP-3641736-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING DIMETHYL FUMARATE Almirall, S.A. (ES) 2020-04-29 — — EP disclosed
WO-2018234584-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING DIMETHYL FUMARATE ALMIRALL, S.A. (ES) 2018-12-27 — — WO disclosed
EP-3079666-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING DIMETHYL FUMARATE Almirall S.A. (ES) 2016-10-19 — — EP disclosed
WO-2015086467-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING DIMETHYL FUMARATE ALMIRALL, S.A. (ES) 2015-06-18 — — WO disclosed
WO-2012052180-A1 COMBINATIONS COMPRISING DHODH INHIBITORS AND COX INHIBITORS ALMIRALL, S.A. (ES) 2012-04-26 — — WO disclosed
EP-2444086-A1 Combinations comprising DHODH inhibitors and COX inhibitors Almirall, S.A. (ES) 2012-04-25 — — EP disclosed
US-20060229338-A1 2,3'-bipyridines derivatives as selective cox-2 inhibitors LABORATORIOS ALMIRALL, S.A. (ES) 2006-10-12 — — US disclosed
EP-1592666-A1 2,3 -BIPYRIDINES DERIVATIVES AS SELECTIVE COX-2 INHIBITORS Almirall Prodesfarma, S.A. (ES) 2005-11-09 — — EP disclosed
WO-2004072037-A1 2,3'-BIPYRIDINES 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-11602515-B2 Pharmaceutical compositions comprising dimethyl fumarate MGAM, SI, FH PTGS2 2276/4885PTGS1 1521/4885ABCC4 1587/4885
US-20210330628-A1 Pharmaceutical Compositions Comprising Dimethyl Fumarate MGAM, SI, FH PTGS2 2168/4885PTGS1 1359/4885ABCC4 1761/4885
US-20200197348-A1 Pharmaceutical Compositions Comprising Dimethyl Fumarate MGAM, SI, FH PTGS2 2276/4885PTGS1 1521/4885ABCC4 1587/4885
US-20060229338-A1 2,3'-bipyridines derivatives as selective cox-2 inhibitors PTGS2, PTGES2, PTGER2 PTGS2 1/4885PTGS1 4/4885ABCC4 593/4885

“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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