SCHEMBL3159495

SCHEMBL3159495

CS(=O)(=O)c1cccc(C(=O)N(CCCc2cccc(OCC(=O)O)c2)CCC(c2ccccc2)c2ccccc2)c1

nearest known ligand 0.79

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 5/20 0.79
▸ PPARA Q07869 2/20 0.46
▸ PPARG P37231 1/20 0.46
▸ PTGIR P43119 2/20 0.45
▸ CA12 O43570 4/20 0.43
▸ CA1 P00915 4/20 0.43
▸ CA2 P00918 4/20 0.43
▸ CA4 P22748 4/20 0.43
▸ CA9 Q16790 4/20 0.43
▸ LPAR1 Q92633 3/20 0.43
▸ LPAR2 Q9HBW0 1/20 0.43
▸ CASR P41180 2/20 0.41

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
SCHEMBL3165249 0.91 PTGDR2 (0.79) PTGDR2PPARAPPARGPTGIRCA12
SCHEMBL3165320 0.89 PTGDR2 (1.00) PTGDR2PPARAPPARGPTGIRLPAR1
SCHEMBL4283355 0.89 PTGDR2 (0.61) PTGDR2LPAR1CASR
SCHEMBL3165165 0.87 PTGDR2 (0.75) PTGDR2PPARAPPARGPTGIRLPAR1
SCHEMBL3164659 0.87 PTGDR2 (0.89) PTGDR2PPARAPPARGPTGIRLPAR1
SCHEMBL4283351 0.87 PTGDR2 (0.59) PTGDR2LPAR1CASR
SCHEMBL3165264 0.84 PTGDR2 (1.00) PTGDR2PPARAPPARGPTGIRLPAR1
SCHEMBL3165103 0.83 PTGDR2 (0.78) PTGDR2PPARAPPARGPTGIRCASR
SCHEMBL3165869 0.83 PTGDR2 (0.89) PTGDR2PPARAPPARGPTGIRLPAR1
SCHEMBL3179356 0.83 PTGDR2 (0.87) PTGDR2PPARAPPARGPTGIRLPAR1

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 9 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
EP-2094662-A1 POLYCYCLIC ACID COMPOUNDS USEFUL AS CRTH2 ANTAGONISTS AND ANTIALLERGIC AGENTS Astellas Pharma Inc. (JP) 2009-09-02 — — EP disclosed
WO-2008072784-A1 POLYCYCLIC ACID COMPOUNDS USEFUL AS CRTH2 ANTAGONISTS AND ANTIALLERGIC AGENTS ASTELLAS PHARMA INC. (JP) 2008-06-19 — — 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-20100009991-A1 POLYCYCLIC ACID COMPOUNDS USEFUL AS CRTH2 ANTAGONISTS AND ANTIALLERGIC AGENTS HRH2, HRH1, HRH4 PTGDR2 116/4885PPARA 1122/4885PPARG 1069/4885

“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.

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