SCHEMBL3159563

SCHEMBL3159563

O=C(O)COc1cccc(CCCn2cc(C(c3ccc(F)cc3)c3ccc(F)cc3)ccc2=O)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 13/20 1.00
PTGDR Q13258 1/20 0.49
PPARA Q07869 2/20 0.47
PPARG P37231 1/20 0.47
PTGIR P43119 2/20 0.44

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
SCHEMBL3159628 0.93 PTGDR2 (1.00) PTGDR2PTGDRPPARAPPARGPTGIR
SCHEMBL3175759 0.91 PTGDR2 (0.88) PTGDR2PTGDR
SCHEMBL3169574 0.90 PTGDR2 (1.00) PTGDR2PTGDRPPARAPPARGPTGIR
SCHEMBL3165583 0.90 PTGDR2 (1.00) PTGDR2PTGDRPPARAPPARGPTGIR
SCHEMBL3180595 0.90 PTGDR2 (0.94) PTGDR2PTGDRPPARAPPARGPTGIR
SCHEMBL3169545 0.90 PTGDR2 (1.00) PTGDR2PTGDRPPARAPPARGPTGIR
SCHEMBL3172652 0.86 PTGDR2 (0.87) PTGDR2PTGDR
SCHEMBL12678767 0.84 PTGDR2 (0.82) PTGDR2PTGDRPPARAPPARGPTGIR
SCHEMBL3172578 0.84 PTGDR2 (0.72) PTGDR2PTGDRPPARAPPARGPTGIR
SCHEMBL3180249 0.83 PTGDR2 (1.00) PTGDR2PTGDRPTGIR

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 189/4885PPARA 1122/4885

“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.