SCHEMBL5530557

SCHEMBL5530557

CCOC1=Cc2c(c(C(=O)OC(C)(C)C)nn2S(=O)(=O)c2ccc(C)cc2)C1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
KMT2A Q03164 8/20 0.37
MAPT P10636 3/20 0.37
MEN1 O00255 3/20 0.36
GAA P10253 2/20 0.36
LMNA P02545 3/20 0.35
KDM4E B2RXH2 1/20 0.35
TSHR P16473 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MCOLN3 Q8TDD5 1/20 0.35
TP53 P04637 1/20 0.33
THRB P10828 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
CD4 P01730 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
SCHEMBL6208070 0.83 KMT2A (0.37) ALDH1A1KMT2AMAPTMEN1GAA
SCHEMBL15444916 0.80 LMNA (0.38) ALDH1A1KMT2AMEN1GAALMNA
SCHEMBL13954856 0.67 KMT2A (0.35) ALDH1A1KMT2AMAPTMEN1GAA
SCHEMBL5524267 0.67 ALDH1A1 (0.38) ALDH1A1LMNAKDM4E
SCHEMBL13935665 0.62 ALDH1A1 (0.41) ALDH1A1KMT2AMEN1GAALMNA
SCHEMBL17942309 0.61 LMNA (0.57) ALDH1A1KMT2AMAPTMEN1GAA
SCHEMBL25979816 0.60 CA1 (0.42) ALDH1A1KMT2AMAPTMEN1GAA
SCHEMBL16771373 0.60 KMT2A (0.43) ALDH1A1KMT2AMAPTMEN1GAA
SCHEMBL17258006 0.60 L3MBTL1 (0.40) ALDH1A1KMT2AMAPTMEN1LMNA
SCHEMBL17258007 0.60 L3MBTL1 (0.40) ALDH1A1KMT2AMAPTMEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8637555-B2 Tetrazole derivatives and methods of treatment of metabolic-related disorders thereof ARENA PHARMACEUTICALS, INC. (US) 2014-01-28 US disclosed
US-8637555-B2 Tetrazole derivatives and methods of treatment of metabolic-related disorders thereof ARENA PHARMACEUTICALS, INC. (US) 2014-01-28 US disclosed
US-8637555-B2 Tetrazole derivatives and methods of treatment of metabolic-related disorders thereof ARENA PHARMACEUTICALS, INC. (US) 2014-01-28 US disclosed
US-20090054423-A1 Niacin receptor agonists, compositions containing such compounds and methods of treatment MERCK SHARP & DOHME CORP. 2009-02-26 US disclosed
US-20090054423-A1 Niacin receptor agonists, compositions containing such compounds and methods of treatment MERCK SHARP & DOHME CORP. 2009-02-26 US disclosed
US-20070072924-A1 Tetrazole derivatives and methods of treatment of metabolic-related disorders thereof ARENA PHARMACEUTICALS, INC. 2007-03-29 US disclosed
US-20070072924-A1 Tetrazole derivatives and methods of treatment of metabolic-related disorders thereof ARENA PHARMACEUTICALS, INC. 2007-03-29 US disclosed
US-20070072924-A1 Tetrazole derivatives and methods of treatment of metabolic-related disorders thereof ARENA PHARMACEUTICALS, INC. 2007-03-29 US disclosed
US-20060217562-A1 Tetrazole derivatives and methods of treatment of metabolic-related disorders thereof ARENA PHARMACEUTICALS, INC. 2006-09-28 US disclosed
EP-1683794-A1 Tetrazole derivatives and methods of treatment of metabolic-related disorders thereof Arena Pharmaceuticals, Inc. (US) 2006-07-26 EP disclosed
EP-1599469-B1 TETRAZOLE DERIVATIVES AND METHODS OF TREATMENT OF METABOLIC-RELATED DISORDERS THEREOF ARENA PHARM INC (US) 2006-06-07 EP 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 (3 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-20070072924-A1 Tetrazole derivatives and methods of treatment of metabolic-related disorders thereof SQLE, ACE, AGTR2 ALDH1A1 681/4885KMT2A 4044/4885MAPT 3561/4885
US-20060217562-A1 Tetrazole derivatives and methods of treatment of metabolic-related disorders thereof SQLE, ACE, AGTR2 ALDH1A1 681/4885KMT2A 4044/4885MAPT 3561/4885
US-20090054423-A1 Niacin receptor agonists, compositions containing such compounds and methods of treatment FFAR1, HCAR1, GPR119 ALDH1A1 949/4885KMT2A 3637/4885MAPT 2698/4885

“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.