SCHEMBL1996116

SCHEMBL1996116

O=C(O)COc1ccc(Br)cc1C(=O)c1cc(-c2c(Cl)cccc2Cl)no1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 13/20 0.59
▸ NR1H4 Q96RI1 1/20 0.39
▸ TDP1 Q9NUW8 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ CTDSP1 Q9GZU7 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ LRRK2 Q5S007 1/20 0.38
▸ BRD4 O60885 1/20 0.38
▸ AKR1B1 P15121 1/20 0.38

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
SCHEMBL1995949 0.86 PTGDR2 (0.65) PTGDR2TDP1POLBTSHRCTDSP1
SCHEMBL21987039 0.77 PTGDR2 (0.71) PTGDR2TDP1AKR1B1
SCHEMBL12159904 0.75 PTGDR2 (0.57) PTGDR2POLBTSHR
SCHEMBL1992646 0.74 PTGDR2 (0.53) PTGDR2NR1H4TDP1POLBTSHR
SCHEMBL21987061 0.71 PTGDR2 (1.00) PTGDR2TDP1POLBTSHRCTDSP1
SCHEMBL1992159 0.71 PTGDR2 (0.75) PTGDR2
SCHEMBL3044855 0.70 PTGDR2 (0.79) PTGDR2TDP1POLBTSHRCTDSP1
SCHEMBL21987072 0.70 PTGDR2 (0.61) PTGDR2TDP1POLBTSHRCTDSP1
SCHEMBL3203787 0.69 TDP1 (0.70) PTGDR2TDP1POLBTSHRCTDSP1
SCHEMBL12606420 0.69 PTGDR2 (0.50) PTGDR2TDP1POLBTSHRCTDSP1

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 13 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
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 70/4885NR1H4 29/4885TDP1 4874/4885
US-20110269763-A1 CRTH2 receptor ligands for medicinal uses HRH1, HRH2, HRH4 PTGDR2 61/4885NR1H4 28/4885TDP1 4873/4885

“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.

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