SCHEMBL1994469

SCHEMBL1994469

O=C(O)COc1ccc(-c2ccc(Cl)cc2)cc1C(=O)c1cnn(-c2ccccc2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 16/20 1.00
RAB9A P51151 4/20 0.56
NPC1 O15118 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
GBA1 P04062 1/20 0.56
TP53 P04637 1/20 0.56
MAPT P10636 1/20 0.54
NFKB1 P19838 1/20 0.54
NFKB2 Q00653 1/20 0.54
RELA Q04206 1/20 0.54
HPGD P15428 1/20 0.54

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 0.94 PTGDR2 (1.00) PTGDR2RAB9ANPC1SMN1; SMN2GBA1
SCHEMBL1996052 0.93 PTGDR2 (1.00) PTGDR2RAB9ANPC1SMN1; SMN2GBA1
SCHEMBL2001340 0.87 PTGDR2 (1.00) PTGDR2RAB9ANPC1SMN1; SMN2GBA1
SCHEMBL1993593 0.86 PTGDR2 (1.00) PTGDR2RAB9ANPC1MAPTNFKB1
SCHEMBL1994550 0.84 PTGDR2 (0.78) PTGDR2RAB9ANPC1SMN1; SMN2GBA1
SCHEMBL1993656 0.84 PTGDR2 (1.00) PTGDR2RAB9ANPC1SMN1; SMN2GBA1
SCHEMBL1996148 0.84 PTGDR2 (1.00) PTGDR2RAB9ANPC1SMN1; SMN2GBA1
SCHEMBL1994430 0.84 PTGDR2 (1.00) PTGDR2RAB9ANPC1SMN1; SMN2GBA1
SCHEMBL1995936 0.84 PTGDR2 (1.00) PTGDR2RAB9ANPC1SMN1; SMN2GBA1
SCHEMBL1992244 0.82 PTGDR2 (1.00) PTGDR2RAB9ANPC1SMN1; SMN2MAPT

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 7 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-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

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.