SCHEMBL2467075

SCHEMBL2467075

O=C(O)COc1ccc(Br)cc1-c1nc(-c2cccc(C(F)(F)F)c2)no1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.53
PTGDR2 Q9Y5Y4 6/20 0.53
SMN1; SMN2 Q16637 2/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
GAA P10253 1/20 0.50
HPGD P15428 1/20 0.50
HSD17B10 Q99714 1/20 0.50
FFAR1 O14842 2/20 0.49
NR1H4 Q96RI1 1/20 0.49
NPC1 O15118 3/20 0.48
RAB9A P51151 2/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
ALOX15 P16050 1/20 0.46
S1PR1 P21453 1/20 0.46
S1PR5 Q9H228 1/20 0.46
TSHR P16473 1/20 0.44
MAPT P10636 1/20 0.43

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
SCHEMBL1992955 0.91 PTGDR2 (0.50) NPSR1PTGDR2SMN1; SMN2HPGDS1PR1
SCHEMBL1990983 0.89 PTGDR2 (0.50) PTGDR2S1PR1
SCHEMBL1997514 0.87 PTGDR2 (0.67) PTGDR2SMN1; SMN2KDM4EGAAHSD17B10
SCHEMBL1992895 0.85 PTGDR2 (0.56) PTGDR2SMN1; SMN2GAAFFAR1NPC1
SCHEMBL2001901 0.83 NPC1 (0.54) PTGDR2SMN1; SMN2FFAR1NPC1RAB9A
SCHEMBL1995007 0.82 PTGDR2 (0.53) PTGDR2SMN1; SMN2GAAHSD17B10FFAR1
SCHEMBL2000087 0.82 PPARD (0.50) PTGDR2SMN1; SMN2S1PR1
SCHEMBL2002169 0.81 PTGDR2 (0.68) PTGDR2SMN1; SMN2ALDH1A1NR1H4NPC1
SCHEMBL12606720 0.80 PTGDR2 (0.48) NPSR1PTGDR2SMN1; SMN2HPGDS1PR1
SCHEMBL1992488 0.80 PTGDR2 (0.53) PTGDR2SMN1; SMN2ALDH1A1HPGDHSD17B10

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 11 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
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 NPSR1 311/4885PTGDR2 70/4885SMN1; SMN2 4722/4885
US-20110269763-A1 CRTH2 receptor ligands for medicinal uses HRH1, HRH2, HRH4 NPSR1 301/4885PTGDR2 61/4885SMN1; SMN2 4801/4885

“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.