SCHEMBL1996239

SCHEMBL1996239

O=C(O)COc1ccc(Br)cc1-c1nc(-c2ccc(Oc3ccccc3)cc2)no1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.56
HAVCR2 Q8TDQ0 3/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 2/20 0.47
TSHR P16473 2/20 0.47
S1PR1 P21453 2/20 0.46
S1PR3 Q99500 2/20 0.46
MCHR1 Q99705 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
MAPT P10636 1/20 0.45
TP53 P04637 2/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
MCL1 Q07820 1/20 0.45
HSD17B10 Q99714 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
ACACB O00763 5/20 0.44
PPARD Q03181 2/20 0.44
PPARA Q07869 2/20 0.44

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) PTGDR2HAVCR2NPC1RAB9ATSHR
SCHEMBL1993782 0.89 TP53 (0.56) PTGDR2HAVCR2NPC1RAB9ATSHR
SCHEMBL1992488 0.86 PTGDR2 (0.53) PTGDR2NPC1RAB9ATSHRSMN1; SMN2
SCHEMBL1995007 0.86 PTGDR2 (0.53) PTGDR2HAVCR2NPC1RAB9ATSHR
SCHEMBL2000087 0.86 PPARD (0.50) PTGDR2S1PR1SMN1; SMN2TP53NFKB1
SCHEMBL2001901 0.84 NPC1 (0.54) PTGDR2HAVCR2NPC1RAB9ATSHR
SCHEMBL2002169 0.84 PTGDR2 (0.68) PTGDR2NPC1RAB9ATSHRSMN1; SMN2
SCHEMBL1990983 0.84 PTGDR2 (0.50) PTGDR2S1PR1S1PR3PPARDPPARA
SCHEMBL1992895 0.82 PTGDR2 (0.56) PTGDR2NPC1RAB9ATSHRS1PR1
SCHEMBL1993359 0.81 PTGDR2 (0.55) PTGDR2NPC1RAB9ATSHRSMN1; SMN2

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 70/4885HAVCR2 184/4885NPC1 2796/4885
US-20110269763-A1 CRTH2 receptor ligands for medicinal uses HRH1, HRH2, HRH4 PTGDR2 61/4885HAVCR2 206/4885NPC1 2431/4885

“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.