SCHEMBL1997908

SCHEMBL1997908

CCOc1ccc(-c2nc(-c3cc(Br)ccc3OCC(=O)O)co2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 7/20 0.49
PRMT5 O14744 1/20 0.46
WDR77 Q9BQA1 1/20 0.46
AGPAT2 O15120 2/20 0.41
FFAR1 O14842 2/20 0.41
PPARD Q03181 2/20 0.41
MAPT P10636 2/20 0.40
PTPN1 P18031 1/20 0.40
S1PR1 P21453 1/20 0.39
S1PR5 Q9H228 1/20 0.39
ALPL P05186 1/20 0.39
ENPP3 O14638 1/20 0.39
ENPP1 P22413 1/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL1994352 0.91 PTGDR2 (0.50) PTGDR2PRMT5WDR77PPARDMAPT
SCHEMBL1991429 0.87 PTGDR2 (0.65) PTGDR2PRMT5WDR77NPC1RAB9A
SCHEMBL1994825 0.87 PTGDR2 (0.52) PTGDR2PRMT5WDR77PPARDMAPT
SCHEMBL1992093 0.82 PTGDR2 (0.53) PTGDR2PRMT5WDR77FFAR1PPARD
SCHEMBL27809534 0.82 PTPN1 (0.41) MAPTPTPN1S1PR1S1PR5ENPP3
SCHEMBL12607455 0.81 PTGDR2 (0.50) PTGDR2FFAR1PPARDPTPN1ENPP3
SCHEMBL1996041 0.79 PTGDR2 (0.65) PTGDR2PRMT5WDR77PTPN1ENPP3
SCHEMBL12606349 0.76 PTGDR2 (0.48) PTGDR2FFAR1PPARDPTPN1ENPP3
SCHEMBL12607460 0.76 PTGDR2 (0.48) PTGDR2PPARDMAPT
SCHEMBL1997301 0.75 PTGDR2 (0.46) PTGDR2PRMT5WDR77PPARDMAPT

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 70/4885PRMT5 2686/4885WDR77 1156/4885
US-20110269763-A1 CRTH2 receptor ligands for medicinal uses HRH1, HRH2, HRH4 PTGDR2 61/4885PRMT5 2615/4885WDR77 1169/4885

“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.