SCHEMBL1996077

SCHEMBL1996077

CC(Oc1ccc(Br)cc1C(=O)c1cnn(-c2c(Cl)cc(Cl)cc2Cl)c1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 13/20 0.53
TSHR P16473 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HPGD P15428 2/20 0.37
POLB P06746 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL1990890 0.92 PTGDR2 (0.52) PTGDR2TSHRHTR2AHTR2CHTR2B
SCHEMBL1990891 0.92 PTGDR2 (0.52) PTGDR2TSHRHTR2AHTR2CHTR2B
SCHEMBL1995678 0.89 PTGDR2 (0.54) PTGDR2TSHRHTR2AHTR2CHTR2B
SCHEMBL2001194 0.87 PTGDR2 (0.54) PTGDR2TSHRHTR2AHTR2CHTR2B
SCHEMBL12159870 0.86 PTGDR2 (0.57) PTGDR2MEN1KMT2AHPGDRAB9A
SCHEMBL1994692 0.86 PTGDR2 (0.57) PTGDR2MEN1KMT2AHPGDRAB9A
SCHEMBL1995031 0.85 PTGDR2 (0.52) PTGDR2TSHRHTR2AHTR2CHTR2B
SCHEMBL2000068 0.84 PTGDR2 (0.53) PTGDR2TSHRHTR2AHTR2CHTR2B
SCHEMBL1994972 0.84 PTGDR2 (0.68) PTGDR2MEN1KMT2AHPGDRAB9A
SCHEMBL1994973 0.84 PTGDR2 (0.68) PTGDR2MEN1KMT2AHPGDRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8022063-B2 CRTH2 receptor ligands for medicinal uses 7TM PHARMA A/S (DK) 2011-09-20 US claimed
US-20090099189-A1 CRTH2 Receptor Ligands For Medicinal Uses 7TM PHARMA A/S (DK) 2009-04-16 US claimed
EP-1758579-A1 CRTH2 RECEPTOR LIGANDS FOR MEDICINAL USES 7TM Pharma A/S (DK) 2007-03-07 EP claimed
WO-2005115382-A1 CRTH2 RECEPTOR LIGANDS FOR MEDICINAL USES 7TM PHARMA A/S (DK) 2005-12-08 WO claimed
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 70/4885TSHR 586/4885HTR2A 579/4885
US-20110269763-A1 CRTH2 receptor ligands for medicinal uses HRH1, HRH2, HRH4 PTGDR2 61/4885TSHR 384/4885HTR2A 315/4885

“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.