SCHEMBL2002169

SCHEMBL2002169

O=C(O)COc1ccc(Br)cc1-c1noc(-c2ccccc2)n1

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 10/20 0.68
NPC1 O15118 4/20 0.66
TSHR P16473 3/20 0.66
RAB9A P51151 2/20 0.66
KMT2A Q03164 1/20 0.51
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
NR1H4 Q96RI1 1/20 0.48
ALOX15 P16050 1/20 0.47
PRMT5 O14744 1/20 0.47
WDR77 Q9BQA1 1/20 0.47
ALDH1A1 P00352 1/20 0.46
TP53 P04637 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL1997514 0.92 PTGDR2 (0.67) PTGDR2NPC1TSHRRAB9AHTT
SCHEMBL1995319 0.90 PTGDR2 (0.54) PTGDR2NPC1TSHRRAB9AKMT2A
SCHEMBL2463154 0.89 PTGDR2 (0.57) PTGDR2NPC1TSHRRAB9AKMT2A
SCHEMBL1993837 0.88 PTGDR2 (0.55) PTGDR2NPC1TSHRRAB9AKMT2A
SCHEMBL2469468 0.87 TSHR (0.58) PTGDR2NPC1TSHRRAB9AKMT2A
SCHEMBL1993359 0.85 PTGDR2 (0.55) PTGDR2NPC1TSHRRAB9AKMT2A
SCHEMBL1995943 0.85 NPC1 (0.63) PTGDR2NPC1TSHRRAB9AKMT2A
SCHEMBL1992895 0.84 PTGDR2 (0.56) PTGDR2NPC1TSHRRAB9AKMT2A
SCHEMBL1996239 0.84 PTGDR2 (0.56) PTGDR2NPC1TSHRRAB9ASMN1; SMN2
SCHEMBL1997376 0.83 PTGDR2 (0.55) PTGDR2NPC1TSHRRAB9AKMT2A

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 70/4885NPC1 2796/4885TSHR 586/4885
US-20110269763-A1 CRTH2 receptor ligands for medicinal uses HRH1, HRH2, HRH4 PTGDR2 61/4885NPC1 2431/4885TSHR 384/4885

“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.