SCHEMBL3159446

SCHEMBL3159446

O=C(O)COc1cccc(-c2cccc(Cn3nc(C(c4ccccc4)c4ccccc4)ccc3=O)c2)c1

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 9/20 0.69
PTGDR Q13258 1/20 0.57
PTGIR P43119 1/20 0.48
FABP4 P15090 4/20 0.42
FABP3 P05413 3/20 0.42
CTSA P10619 1/20 0.42
PLA2G10 O15496 1/20 0.41
PLA2G2A P14555 1/20 0.41
PLAU P00749 1/20 0.40
FABP5 Q01469 2/20 0.39
FABP1 P07148 1/20 0.39
SLC16A3 O15427 1/20 0.39
SLC16A1 P53985 1/20 0.39
MCTS1 Q9ULC4 1/20 0.39
FFAR1 O14842 2/20 0.39
PPARD Q03181 2/20 0.39

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
SCHEMBL3169292 0.85 PTGDR2 (0.60) PTGDR2PTGDRPTGIRFABP4FABP3
SCHEMBL3164718 0.82 PTGDR2 (1.00) PTGDR2PTGDRPTGIR
SCHEMBL3168673 0.81 PTGDR2 (0.94) PTGDR2PTGDRPTGIR
SCHEMBL3168549 0.81 PTGDR2 (0.69) PTGDR2PTGDRPTGIRCTSAPLA2G10
SCHEMBL3169657 0.81 PTGDR2 (0.80) PTGDR2PTGDRPTGIR
SCHEMBL3159504 0.77 PTGDR2 (0.65) PTGDR2PTGDRPTGIRFFAR1
SCHEMBL3159228 0.76 PTGDR2 (0.72) PTGDR2PTGDRPTGIR
SCHEMBL3166765 0.75 PTGDR2 (0.73) PTGDR2PTGDRPTGIR
SCHEMBL3176191 0.73 PTGDR2 (0.81) PTGDR2PTGDRPTGIRFFAR1
SCHEMBL3176547 0.73 PTGDR2 (1.00) PTGDR2PTGDRPTGIRFFAR1

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.