SCHEMBL1992895

SCHEMBL1992895

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

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 4/20 0.56
NPC1 O15118 6/20 0.55
RAB9A P51151 4/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
TSHR P16473 4/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
MAPT P10636 3/20 0.51
FFAR1 O14842 1/20 0.48
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
GLA P06280 1/20 0.46
SMPD1 P17405 1/20 0.44
S1PR1 P21453 1/20 0.43
S1PR3 Q99500 1/20 0.43
GAA P10253 1/20 0.42
ALOX15 P16050 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL2463154 0.93 PTGDR2 (0.57) PTGDR2NPC1RAB9AL3MBTL1TSHR
SCHEMBL1997514 0.89 PTGDR2 (0.67) PTGDR2NPC1RAB9AL3MBTL1TSHR
SCHEMBL1992488 0.89 PTGDR2 (0.53) PTGDR2NPC1RAB9ATSHRSMN1; SMN2
SCHEMBL1992646 0.86 PTGDR2 (0.53) PTGDR2NPC1RAB9AL3MBTL1TSHR
SCHEMBL2001901 0.86 NPC1 (0.54) PTGDR2NPC1RAB9ATSHRSMN1; SMN2
SCHEMBL2467075 0.85 NPSR1 (0.53) PTGDR2NPC1RAB9AL3MBTL1TSHR
SCHEMBL2002328 0.84 TDP1 (0.50) PTGDR2NPC1RAB9ATSHRMAPT
SCHEMBL2002169 0.84 PTGDR2 (0.68) PTGDR2NPC1RAB9AL3MBTL1TSHR
SCHEMBL1993359 0.83 PTGDR2 (0.55) PTGDR2NPC1RAB9AL3MBTL1TSHR
SCHEMBL2462495 0.83 PTGDR2 (0.47) PTGDR2NPC1RAB9AL3MBTL1SMN1; SMN2

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 70/4885NPC1 2796/4885RAB9A 2702/4885
US-20110269763-A1 CRTH2 receptor ligands for medicinal uses HRH1, HRH2, HRH4 PTGDR2 61/4885NPC1 2431/4885RAB9A 2089/4885

“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.