SCHEMBL1993656

SCHEMBL1993656

Cc1ccc(OCC(=O)O)c(C(=O)c2cnn(-c3ccccc3)c2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 16/20 1.00
MAPT P10636 2/20 0.67
HTT P42858 2/20 0.67
HPGD P15428 1/20 0.67
RAB9A P51151 3/20 0.64
NPC1 O15118 1/20 0.64
GBA1 P04062 1/20 0.59
TP53 P04637 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
LMNA P02545 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57

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
SCHEMBL1992892 0.88 PTGDR2 (1.00) PTGDR2MAPTHTTRAB9ANPC1
SCHEMBL1992244 0.87 PTGDR2 (1.00) PTGDR2MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL1996052 0.87 PTGDR2 (1.00) PTGDR2MAPTHPGDRAB9ANPC1
SCHEMBL1994550 0.87 PTGDR2 (0.78) PTGDR2MAPTHTTRAB9ANPC1
SCHEMBL1996148 0.87 PTGDR2 (1.00) PTGDR2MAPTHTTHPGDRAB9A
SCHEMBL1994430 0.87 PTGDR2 (1.00) PTGDR2MAPTRAB9ANPC1GBA1
SCHEMBL1993784 0.86 PTGDR2 (0.83) PTGDR2MAPTHTTRAB9ANPC1
SCHEMBL1995936 0.86 PTGDR2 (1.00) PTGDR2MAPTHTTHPGDRAB9A
SCHEMBL12159848 0.84 PTGDR2 (0.73) PTGDR2MAPTHTTHPGDRAB9A
SCHEMBL1994469 0.84 PTGDR2 (1.00) PTGDR2MAPTHPGDRAB9ANPC1

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 10 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

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 4672/4885HTT 4579/4885
US-20110269763-A1 CRTH2 receptor ligands for medicinal uses HRH1, HRH2, HRH4 PTGDR2 61/4885MAPT 4755/4885HTT 4398/4885

“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.