SCHEMBL1994352

SCHEMBL1994352

COc1ccc(-c2nc(-c3cc(Br)ccc3OCC(=O)O)co2)cc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 6/20 0.50
MAPT P10636 1/20 0.48
ENPP3 O14638 1/20 0.47
ENPP1 P22413 1/20 0.47
PPARD Q03181 8/20 0.47
PRMT5 O14744 1/20 0.46
WDR77 Q9BQA1 1/20 0.46
HDAC1 Q13547 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
PTPN1 P18031 1/20 0.45
PPARA Q07869 1/20 0.44
MCL1 Q07820 1/20 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
SCHEMBL1997908 0.91 PTGDR2 (0.49) PTGDR2MAPTENPP3ENPP1PPARD
SCHEMBL12607455 0.90 PTGDR2 (0.50) PTGDR2ENPP3ENPP1PPARDHDAC1
SCHEMBL1992093 0.89 PTGDR2 (0.53) PTGDR2MAPTPPARDPRMT5WDR77
SCHEMBL1991429 0.88 PTGDR2 (0.65) PTGDR2PRMT5WDR77
SCHEMBL1994825 0.88 PTGDR2 (0.52) PTGDR2MAPTPPARDPRMT5WDR77
SCHEMBL1997301 0.84 PTGDR2 (0.46) PTGDR2MAPTPPARDPRMT5WDR77
SCHEMBL2469468 0.82 TSHR (0.58) PTGDR2MAPTPPARDPTPN1
SCHEMBL1993782 0.80 TP53 (0.56) PTGDR2MAPT
SCHEMBL12608039 0.80 PTPN1 (0.46) PTGDR2ENPP3ENPP1PPARDPTPN1
SCHEMBL1996041 0.80 PTGDR2 (0.65) PTGDR2ENPP3ENPP1PRMT5WDR77

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 70/4885MAPT 4672/4885ENPP3 1940/4885
US-20110269763-A1 CRTH2 receptor ligands for medicinal uses HRH1, HRH2, HRH4 PTGDR2 61/4885MAPT 4755/4885ENPP3 1985/4885

“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.