SCHEMBL1993750

SCHEMBL1993750

CCOC(=O)COc1ccc(Br)cc1C(=O)c1cnn(-c2ccccc2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 16/20 1.00
RAB9A P51151 3/20 0.78
NPC1 O15118 1/20 0.78
LMNA P02545 2/20 0.54
MAPT P10636 2/20 0.54
HTT P42858 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.53
GBA1 P04062 1/20 0.53
TP53 P04637 1/20 0.53

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
SCHEMBL1995551 0.90 PTGDR2 (0.81) PTGDR2RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL1996046 0.89 RAB9A (0.81) PTGDR2RAB9ANPC1LMNAMAPT
SCHEMBL1996661 0.88 RAB9A (1.00) PTGDR2RAB9ANPC1LMNAMAPT
SCHEMBL1994430 0.88 PTGDR2 (1.00) PTGDR2RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL1993925 0.88 PTGDR2 (0.78) PTGDR2RAB9ANPC1MAPT
SCHEMBL5315714 0.86 PTGDR2 (0.75) PTGDR2RAB9ANPC1LMNAMAPT
SCHEMBL1995873 0.85 PTGDR2 (0.80) PTGDR2RAB9ANPC1LMNAMAPT
SCHEMBL1992754 0.83 PTGDR2 (1.00) PTGDR2
SCHEMBL5315782 0.83 PTGDR2 (0.70) PTGDR2RAB9ANPC1MAPTHTT
SCHEMBL1994784 0.82 PTGDR2 (1.00) PTGDR2RAB9ANPC1SMN1; SMN2GBA1

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 70/4885RAB9A 2702/4885NPC1 2796/4885
US-20110269763-A1 CRTH2 receptor ligands for medicinal uses HRH1, HRH2, HRH4 PTGDR2 61/4885RAB9A 2089/4885NPC1 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.