SCHEMBL3174685

SCHEMBL3174685

O=C(O)CCCOc1ccc(F)c(CCCn2nc(C(c3ccccc3)c3ccccc3)ccc2=O)c1

nearest known ligand 0.73

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 8/20 0.73
PTGDR Q13258 1/20 0.73
FFAR1 O14842 4/20 0.40
FFAR4 Q5NUL3 4/20 0.40
PTGIR P43119 1/20 0.38
PDE3B Q13370 2/20 0.36
PDE3A Q14432 2/20 0.36
P2RY12 Q9H244 1/20 0.36
PPARG P37231 2/20 0.36
PPARD Q03181 1/20 0.36
PPARA Q07869 1/20 0.36
PDE2A O00408 1/20 0.36
PDK2 Q15119 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
SCHEMBL3180242 0.94 PTGDR2 (0.64) PTGDR2PTGDRFFAR1FFAR4PDE3B
SCHEMBL3165910 0.91 PTGDR2 (0.72) PTGDR2PTGDRFFAR1PTGIRPPARG
SCHEMBL3159589 0.90 PTGDR2 (0.59) PTGDR2PTGDRPDE3BPDE3AP2RY12
SCHEMBL3165634 0.85 PTGDR2 (0.54) PTGDR2PTGDRPTGIRPPARG
SCHEMBL3176547 0.84 PTGDR2 (1.00) PTGDR2PTGDRFFAR1PTGIR
SCHEMBL3176191 0.83 PTGDR2 (0.81) PTGDR2PTGDRFFAR1FFAR4PTGIR
SCHEMBL3159782 0.83 PTGDR2 (0.51) PTGDR2PTGDRFFAR1PDE3BPDE3A
SCHEMBL3169234 0.83 PTGDR2 (0.72) PTGDR2PTGDRFFAR1FFAR4PPARG
SCHEMBL3166216 0.81 PTGDR2 (0.86) PTGDR2PTGDRFFAR1FFAR4PTGIR
SCHEMBL3159621 0.78 PTGDR2 (0.72) PTGDR2PTGDRFFAR1FFAR4PTGIR

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 189/4885FFAR1 354/4885

“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.