SCHEMBL490392

SCHEMBL490392

N[C@H](CCOc1ccc(Br)cc1C1CCCC1)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 15/20 0.62
PTGDR Q13258 7/20 0.62
PTGER2 P43116 1/20 0.44
SLC6A9 P48067 1/20 0.41
KDM4E B2RXH2 1/20 0.41
WDR5 P61964 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL1148095 1.00 PTGDR2 (0.62) PTGDR2PTGDRPTGER2SLC6A9KDM4E
SCHEMBL4882270 0.77 PTGDR2 (1.00) PTGDR2PTGDRPTGER2WDR5
SCHEMBL4882946 0.77 PTGDR2 (1.00) PTGDR2PTGDRPTGER2WDR5
SCHEMBL13262573 0.74 PTGDR2 (0.59) PTGDR2PTGDRPTGER2SLC6A9KDM4E
SCHEMBL4885235 0.73 PTGDR2 (0.61) PTGDR2PTGDRPTGER2SLC6A9MEN1
SCHEMBL491171 0.73 CHEK1 (0.49) MEN1KMT2A
SCHEMBL21060488 0.72 PTGDR2 (0.86) PTGDR2PTGDRPTGER2WDR5
SCHEMBL22805075 0.71 PTGDR2 (0.53) PTGDR2PTGDRPTGER2KDM4EMEN1
SCHEMBL22804878 0.71 PTGDR2 (0.53) PTGDR2PTGDRPTGER2KDM4EMEN1
SCHEMBL22804880 0.71 PTGDR2 (0.53) PTGDR2PTGDRPTGER2KDM4EMEN1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8106091-B2 Inhibitors of IKK-beta serine-threonine protein kinase CHROMA THERAPEUTICS LTD. (GB) 2012-01-31 US disclosed
EP-2086956-B1 INHIBITORS OF IKK- BETA SERINE-THREONINE PROTEIN KINASE CHROMA THERAPEUTICS LTD (GB) 2011-09-14 EP disclosed
US-20100069473-A1 Inhibitors Of IKK-Beta Serine-Threonine Protein Kinase CHROMA THERAPEUTICS LTD. (GB) 2010-03-18 US disclosed
EP-2086956-A1 INHIBITORS OF IKK- BETA SERINE-THREONINE PROTEIN KINASE Chroma Therapeutics Limited (GB) 2009-08-12 EP disclosed
WO-2008053185-A1 INHIBITORS OF IKK-β SERINE-THREONINE PROTEIN KINASE CHROMA THERAPEUTICS LTD. (GB) 2008-05-08 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 (1 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-20100069473-A1 Inhibitors Of IKK-Beta Serine-Threonine Protein Kinase IKBKB, IKBKE, CHUK PTGDR2 2832/4885PTGDR 2467/4885PTGER2 1706/4885

“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.