SCHEMBL3159228

SCHEMBL3159228

O=C(O)COc1cccc(SCCCn2nc(C(c3ccccc3)c3ccccc3)ccc2=O)c1

nearest known ligand 0.72

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 11/20 0.72
PTGDR Q13258 1/20 0.61
PTGIR P43119 2/20 0.46
MCL1 Q07820 3/20 0.37
LMNA P02545 1/20 0.36
ALOX15 P16050 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL3169657 0.88 PTGDR2 (0.80) PTGDR2PTGDRPTGIRMCL1LMNA
SCHEMBL3180426 0.88 PTGDR2 (0.68) PTGDR2PTGDRPTGIR
SCHEMBL3159621 0.87 PTGDR2 (0.72) PTGDR2PTGDRPTGIR
SCHEMBL4271728 0.87 PTGDR2 (0.54) PTGDR2PTGDRPTGIRLMNAHTT
SCHEMBL3159576 0.87 PTGDR2 (0.54) PTGDR2PTGDRPTGIR
SCHEMBL4271726 0.85 PTGDR2 (0.53) PTGDR2PTGDRPTGIR
SCHEMBL3164718 0.83 PTGDR2 (1.00) PTGDR2PTGDRPTGIR
SCHEMBL3176694 0.83 PTGDR2 (0.51) PTGDR2PTGDRPTGIR
SCHEMBL3168673 0.83 PTGDR2 (0.94) PTGDR2PTGDRPTGIR
SCHEMBL3176927 0.82 PTGDR2 (0.73) PTGDR2PTGDRPTGIRMCL1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8273745-B2 Polycyclic acid compounds useful as CRTH2 antagonists and antiallergic agents ASTELLAS PHARMA INC (JP) 2012-09-25 US disclosed
US-8273745-B2 Polycyclic acid compounds useful as CRTH2 antagonists and antiallergic agents ASTELLAS PHARMA INC (JP) 2012-09-25 US disclosed
US-8273745-B2 Polycyclic acid compounds useful as CRTH2 antagonists and antiallergic agents ASTELLAS PHARMA INC (JP) 2012-09-25 US disclosed
EP-2094662-B1 POLYCYCLIC ACID COMPOUNDS USEFUL AS CRTH2 ANTAGONISTS AND ANTIALLERGIC AGENTS ASTELLAS PHARMA INC (JP) 2012-04-11 EP disclosed
US-20100009991-A1 POLYCYCLIC ACID COMPOUNDS USEFUL AS CRTH2 ANTAGONISTS AND ANTIALLERGIC AGENTS ASTELLAS PHARMA INC. (JP) 2010-01-14 US disclosed
US-20100009991-A1 POLYCYCLIC ACID COMPOUNDS USEFUL AS CRTH2 ANTAGONISTS AND ANTIALLERGIC AGENTS ASTELLAS PHARMA INC. (JP) 2010-01-14 US disclosed
US-20100009991-A1 POLYCYCLIC ACID COMPOUNDS USEFUL AS CRTH2 ANTAGONISTS AND ANTIALLERGIC AGENTS ASTELLAS PHARMA INC. (JP) 2010-01-14 US 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-20100009991-A1 POLYCYCLIC ACID COMPOUNDS USEFUL AS CRTH2 ANTAGONISTS AND ANTIALLERGIC AGENTS HRH2, HRH1, HRH4 PTGDR2 116/4885PTGDR 189/4885PTGIR 216/4885

“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.