SCHEMBL1990983

SCHEMBL1990983

O=C(O)COc1ccc(Br)cc1-c1nc(-c2ccc(C(F)(F)F)cc2)no1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 8/20 0.50
PTPN1 P18031 1/20 0.49
PPARD Q03181 6/20 0.48
CHUK O15111 1/20 0.47
TXNRD1 Q16881 1/20 0.47
NOX4 Q9NPH5 1/20 0.47
S1PR1 P21453 4/20 0.47
S1PR3 Q99500 1/20 0.46
PPARA Q07869 4/20 0.46
PPARG P37231 1/20 0.45

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 0.92 PTGDR2 (0.50) PTGDR2S1PR1S1PR3
SCHEMBL2467075 0.89 NPSR1 (0.53) PTGDR2S1PR1
SCHEMBL12606711 0.89 PTGDR2 (0.51) PTGDR2PTPN1PPARDCHUKTXNRD1
SCHEMBL1995007 0.89 PTGDR2 (0.53) PTGDR2
SCHEMBL2000087 0.88 PPARD (0.50) PTGDR2PPARDS1PR1
SCHEMBL1997514 0.87 PTGDR2 (0.67) PTGDR2
SCHEMBL1992488 0.86 PTGDR2 (0.53) PTGDR2
SCHEMBL1993782 0.84 TP53 (0.56) PTGDR2S1PR1
SCHEMBL1996239 0.84 PTGDR2 (0.56) PTGDR2PPARDS1PR1S1PR3PPARA
SCHEMBL12606720 0.80 PTGDR2 (0.48) PTGDR2PPARDS1PR1S1PR3PPARA

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 70/4885PTPN1 3937/4885PPARD 1647/4885
US-20110269763-A1 CRTH2 receptor ligands for medicinal uses HRH1, HRH2, HRH4 PTGDR2 61/4885PTPN1 3876/4885PPARD 1506/4885

“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.