SCHEMBL1992093

SCHEMBL1992093

COc1cccc(-c2nc(-c3cc(Br)ccc3OCC(=O)O)co2)c1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.53
PTPN1 P18031 2/20 0.47
PPARD Q03181 4/20 0.44
FFAR1 O14842 2/20 0.44
PRMT5 O14744 1/20 0.44
WDR77 Q9BQA1 1/20 0.44
PPARA Q07869 2/20 0.44
LMNA P02545 2/20 0.44
PDE4B Q07343 2/20 0.43
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HAVCR2 Q8TDQ0 1/20 0.41
VDR P11473 2/20 0.41

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
SCHEMBL12608039 0.89 PTPN1 (0.46) PTGDR2PTPN1PPARDFFAR1PPARA
SCHEMBL1994352 0.89 PTGDR2 (0.50) PTGDR2PTPN1PPARDPRMT5WDR77
SCHEMBL1991429 0.88 PTGDR2 (0.65) PTGDR2PRMT5WDR77TDP1L3MBTL1
SCHEMBL1994629 0.83 PTGDR2 (0.46) PTGDR2PTPN1PPARDFFAR1PRMT5
SCHEMBL1997908 0.82 PTGDR2 (0.49) PTGDR2PTPN1PPARDFFAR1PRMT5
SCHEMBL2001901 0.82 NPC1 (0.54) PTGDR2PTPN1FFAR1TDP1MAPT
SCHEMBL1996041 0.81 PTGDR2 (0.65) PTGDR2PTPN1PRMT5WDR77TDP1
SCHEMBL1994825 0.81 PTGDR2 (0.52) PTGDR2PPARDPRMT5WDR77TDP1
SCHEMBL27829949 0.80 NPC1 (0.47) PPARDPPARALMNAPDE4BMAPK1
SCHEMBL12607455 0.79 PTGDR2 (0.50) PTGDR2PTPN1PPARDFFAR1PPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110269763-A1 CRTH2 receptor ligands for medicinal uses 7TM PHARMA A/S (DK) 2011-11-03 US disclosed
US-20110269763-A1 CRTH2 receptor ligands for medicinal uses 7TM PHARMA A/S (DK) 2011-11-03 US disclosed
US-20110269763-A1 CRTH2 receptor ligands for medicinal uses 7TM PHARMA A/S (DK) 2011-11-03 US disclosed
US-8022063-B2 CRTH2 receptor ligands for medicinal uses 7TM PHARMA A/S (DK) 2011-09-20 US disclosed
US-8022063-B2 CRTH2 receptor ligands for medicinal uses 7TM PHARMA A/S (DK) 2011-09-20 US disclosed
US-8022063-B2 CRTH2 receptor ligands for medicinal uses 7TM PHARMA A/S (DK) 2011-09-20 US disclosed
EP-2336113-A1 CRTH2 Receptor Ligands for Medical Use 7TM Pharma A/S (DK) 2011-06-22 EP disclosed
US-20090099189-A1 CRTH2 Receptor Ligands For Medicinal Uses 7TM PHARMA A/S (DK) 2009-04-16 US disclosed
US-20090099189-A1 CRTH2 Receptor Ligands For Medicinal Uses 7TM PHARMA A/S (DK) 2009-04-16 US disclosed
US-20090099189-A1 CRTH2 Receptor Ligands For Medicinal Uses 7TM PHARMA A/S (DK) 2009-04-16 US disclosed
EP-1758579-A1 CRTH2 RECEPTOR LIGANDS FOR MEDICINAL USES 7TM Pharma A/S (DK) 2007-03-07 EP disclosed
WO-2005115382-A1 CRTH2 RECEPTOR LIGANDS FOR MEDICINAL USES 7TM PHARMA A/S (DK) 2005-12-08 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 (2 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-20090099189-A1 CRTH2 Receptor Ligands For Medicinal Uses HRH1, HRH2, HRH3 PTGDR2 70/4885PTPN1 3937/4885PPARD 1647/4885
US-20110269763-A1 CRTH2 receptor ligands for medicinal uses HRH1, HRH2, HRH4 PTGDR2 61/4885PTPN1 3876/4885PPARD 1506/4885

“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.