SCHEMBL1994629

SCHEMBL1994629

COc1cccc(Cc2nc(-c3cc(Br)ccc3OCC(=O)O)co2)c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 7/20 0.46
PTGER1 P34995 1/20 0.43
PRMT5 O14744 1/20 0.43
WDR77 Q9BQA1 1/20 0.43
LMNA P02545 1/20 0.42
PTPN1 P18031 1/20 0.41
PPARD Q03181 4/20 0.41
FFAR1 O14842 4/20 0.41
LRRK2 Q5S007 1/20 0.40
PLA2G1B P04054 1/20 0.40
NMT1 P30419 1/20 0.39
PPARA Q07869 1/20 0.39
F2 P00734 1/20 0.38
ELANE P08246 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
SCHEMBL12606366 0.90 LMNA (0.43) PTGDR2LMNAPTPN1PPARDFFAR1
SCHEMBL1997301 0.90 PTGDR2 (0.46) PTGDR2PTGER1PRMT5WDR77PTPN1
SCHEMBL1993719 0.88 PTGDR2 (0.56) PTGDR2PTGER1PRMT5WDR77F2
SCHEMBL1992093 0.83 PTGDR2 (0.53) PTGDR2PRMT5WDR77LMNAPTPN1
SCHEMBL27809528 0.82 NMT1 (0.42) LMNANMT1
SCHEMBL1992767 0.81 PTGDR2 (0.49) PTGDR2PRMT5WDR77LMNA
SCHEMBL2466984 0.80 NMT1 (0.57) PTGDR2PTGER1LMNAPTPN1NMT1
SCHEMBL1994352 0.78 PTGDR2 (0.50) PTGDR2PRMT5WDR77PTPN1PPARD
SCHEMBL12606354 0.77 PTGER1 (0.41) PTGDR2PTGER1PTPN1F2ELANE
SCHEMBL1995468 0.74 PTGDR2 (0.43) PTGDR2PTGER1PRMT5WDR77

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 70/4885PTGER1 26/4885PRMT5 2686/4885
US-20110269763-A1 CRTH2 receptor ligands for medicinal uses HRH1, HRH2, HRH4 PTGDR2 61/4885PTGER1 19/4885PRMT5 2615/4885

“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.