SCHEMBL4134852

SCHEMBL4134852

O=C(O)COc1cc(C(=O)O)on1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.47
SMPD1 P17405 3/20 0.43
ADORA2B P29275 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PKM P14618 1/20 0.39
ALOX15 P16050 1/20 0.37
PLA2G4A P47712 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HTT P42858 1/20 0.36
GRIA1 P42261 1/20 0.36
GRIA2 P42262 1/20 0.36
GRIA3 P42263 1/20 0.36
GRIA4 P48058 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
MCL1 Q07820 1/20 0.36
GAA P10253 1/20 0.35

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
SCHEMBL4124527 0.86 SMPD1 (0.41) SMPD1ADORA2BMEN1KMT2APKM
SCHEMBL4758485 0.83 SMPD1 (0.45) SMPD1ADORA2BMEN1KMT2APKM
SCHEMBL2722839 0.82 HCAR2 (0.52) HCAR2SMPD1PLA2G4AL3MBTL1GAA
SCHEMBL4132324 0.81 HCAR2 (0.47) HCAR2SMPD1L3MBTL1GAA
SCHEMBL32691182 0.80 HCAR2 (0.42) HCAR2SMPD1MEN1KMT2APLA2G4A
SCHEMBL5888245 0.79 SMPD1 (0.57) HCAR2SMPD1MEN1KMT2APLA2G4A
SCHEMBL8846694 0.79 L3MBTL1 (0.56) ADORA2BKMT2APKML3MBTL1MCL1
SCHEMBL2183887 0.78 SMPD1 (0.49) HCAR2SMPD1MEN1KMT2APLA2G4A
SCHEMBL630848 0.78 SMPD1 (0.63) HCAR2SMPD1MEN1KMT2APLA2G4A
SCHEMBL12334449 0.78 SMPD1 (0.63) HCAR2SMPD1MEN1KMT2APLA2G4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090181966-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-07-16 US disclosed
US-7504508-B2 PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-03-17 US disclosed
US-7335655-B2 8-heteroaryl xanthine adenosine A2B receptor antagonists KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. (US) 2008-02-26 US disclosed
US-7335655-B2 8-heteroaryl xanthine adenosine A2B receptor antagonists KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. (US) 2008-02-26 US disclosed
US-7335655-B2 8-heteroaryl xanthine adenosine A2B receptor antagonists KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. (US) 2008-02-26 US disclosed
CN-101018770-A PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARM INC (US) 2007-08-15 CN disclosed
US-7205403-B2 8-Heteroaryl xanthine adenosine A2B receptor antagonists KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. (US) 2007-04-17 US disclosed
US-7205403-B2 8-Heteroaryl xanthine adenosine A2B receptor antagonists KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. (US) 2007-04-17 US disclosed
US-7205403-B2 8-Heteroaryl xanthine adenosine A2B receptor antagonists KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. (US) 2007-04-17 US disclosed
EP-1740547-A1 PGD2 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-01-10 EP disclosed
US-20060142309-A1 8-Heteroaryl xanthine adenosine A2B receptor antagonists KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. 2006-06-29 US disclosed
US-20050256158-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. 2005-11-17 US disclosed
WO-2005100321-A1 PGD2 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-10-27 WO disclosed
EP-1469856-A4 8-HETEROARYL XANTHINE ADENOSINE A SB 2B /SB RECEPTOR ANTAGONISTS KING PHARMACEUTICALS RES & DEV (US) 2005-06-22 EP disclosed
EP-1469856-A2 8-HETEROARYL XANTHINE ADENOSINE A SB 2B /SB RECEPTOR ANTAGONISTS King Pharmaceuticals Research and Development Inc. (US) 2004-10-27 EP disclosed
US-20030207879-A1 8-Heteroaryl xanthine adenosine A2B receptor antagonists KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. 2003-11-06 US disclosed
WO-2003063800-A2 8-HETEROARYL XANTHINE ADENOSINE A2B RECEPTOR ANTAGONISTS KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. (US) 2003-08-07 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-20050256158-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases PTGDR2, LTB4R2, CYSLTR2 HCAR2 34/4885SMPD1 1524/4885ADORA2B 383/4885
US-20090181966-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases PTGDR2, LTB4R2, CYSLTR2 HCAR2 34/4885SMPD1 1524/4885ADORA2B 383/4885
US-20030207879-A1 8-Heteroaryl xanthine adenosine A2B receptor antagonists ADORA2B, ADORA2A, ADORA1 HCAR2 34/4885SMPD1 706/4885ADORA2B 1/4885
US-20060142309-A1 8-Heteroaryl xanthine adenosine A2B receptor antagonists ADORA2B, ADORA2A, ADORA1 HCAR2 57/4885SMPD1 1126/4885ADORA2B 1/4885

“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.