SCHEMBL2127606

SCHEMBL2127606

C[S@@+]([O-])c1ccc(C2=C(c3ccccc3)C(=O)OC2)cc1

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.67
PTGS2 P35354 12/20 0.62
PTGS1 P23219 7/20 0.62
ABCB11 O95342 1/20 0.62
ALDH1A1 P00352 1/20 0.62
MT-CO2 P00403 1/20 0.62
HTR1A P08908 1/20 0.62
ADORA3 P0DMS8 1/20 0.62
MC4R P32245 1/20 0.62

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
SCHEMBL2126405 1.00 KMT2A (0.67) KMT2APTGS2PTGS1ABCB11ALDH1A1
SCHEMBL29612591 1.00 KMT2A (0.67) KMT2APTGS2PTGS1ABCB11ALDH1A1
SCHEMBL2132370 1.00 KMT2A (0.67) KMT2APTGS2PTGS1ABCB11ALDH1A1
SCHEMBL29612583 1.00 KMT2A (0.67) KMT2APTGS2PTGS1ABCB11ALDH1A1
SCHEMBL22158009 0.91 KMT2A (0.55) KMT2APTGS2PTGS1ABCB11ALDH1A1
SCHEMBL17378083 0.88 PTGS2 (0.64) KMT2APTGS2PTGS1ABCB11ALDH1A1
SCHEMBL7053045 0.82 PTGS2 (0.44) KMT2APTGS2PTGS1ABCB11ALDH1A1
SCHEMBL5071823 0.82 KMT2A (1.00) KMT2APTGS2PTGS1ABCB11ALDH1A1
SCHEMBL13743029 0.79 KMT2A (0.79) KMT2APTGS2PTGS1ABCB11ALDH1A1
SCHEMBL26996609 0.78 KMT2A (0.76) KMT2APTGS2PTGS1ABCB11ALDH1A1

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-20060189684-A1 3-Phenylfuran-2-one derivatives as cox-2 inhibitor LABORATORIOS ALMIRALL, S.A. (ES) 2006-08-24 US claimed
JP-2006517561-A 2006-07-27 JP claimed
EP-1592678-A1 3-PHENYLFURAN-2-ONE DERIVATIVES AS COX-2 INHIBITOR Almirall Prodesfarma, S.A. (ES) 2005-11-09 EP claimed
WO-2004072057-A1 3-PHENYLFURAN-2-ONE DERIVATIVES AS COX-2 INHIBITOR 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-20060189684-A1 3-Phenylfuran-2-one derivatives as cox-2 inhibitor LABORATORIOS ALMIRALL, S.A. (ES) 2006-08-24 US disclosed
EP-1592678-A1 3-PHENYLFURAN-2-ONE DERIVATIVES AS COX-2 INHIBITOR Almirall Prodesfarma, S.A. (ES) 2005-11-09 EP disclosed
WO-2004072057-A1 3-PHENYLFURAN-2-ONE DERIVATIVES AS COX-2 INHIBITOR 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 KMT2A 2108/4885PTGS2 2276/4885PTGS1 1521/4885
US-20060189684-A1 3-Phenylfuran-2-one derivatives as cox-2 inhibitor PTGS2, PTGES2, PTGS1 KMT2A 2864/4885PTGS2 1/4885PTGS1 3/4885
US-20210330628-A1 Pharmaceutical Compositions Comprising Dimethyl Fumarate MGAM, SI, FH KMT2A 3047/4885PTGS2 2168/4885PTGS1 1359/4885
US-20200197348-A1 Pharmaceutical Compositions Comprising Dimethyl Fumarate MGAM, SI, FH KMT2A 2108/4885PTGS2 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.