SCHEMBL3173152

SCHEMBL3173152

CCOC(=O)CCCOc1cccc(CCCn2nc(C(c3ccc(F)cc3)c3ccc(F)cc3)ccc2=O)c1

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 10/20 0.69
PTGDR Q13258 1/20 0.69
PPARA Q07869 2/20 0.41
PPARG P37231 1/20 0.41
MMP13 P45452 1/20 0.41
FAAH O00519 1/20 0.39
CYSLTR2 Q9NS75 1/20 0.39
CYSLTR1 Q9Y271 1/20 0.39
PFKFB3 Q16875 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL3166101 0.93 PTGDR2 (0.80) PTGDR2PTGDRPPARAPPARGMMP13
SCHEMBL3166216 0.89 PTGDR2 (0.86) PTGDR2PTGDRMMP13CYSLTR2CYSLTR1
SCHEMBL3159782 0.87 PTGDR2 (0.51) PTGDR2PTGDRFAAHCYSLTR2CYSLTR1
SCHEMBL3168806 0.85 PTGDR2 (0.71) PTGDR2PTGDRPPARAPPARGMMP13
SCHEMBL12678714 0.84 PTGDR2 (0.80) PTGDR2PTGDRPPARAPPARG
SCHEMBL3165589 0.83 PTGDR2 (0.65) PTGDR2PTGDRMMP13FAAHCYSLTR2
SCHEMBL3159589 0.82 PTGDR2 (0.59) PTGDR2PTGDRMMP13FAAHCYSLTR2
SCHEMBL3174515 0.82 PTGDR2 (0.65) PTGDR2PTGDR
SCHEMBL3176547 0.82 PTGDR2 (1.00) PTGDR2PTGDRMMP13CYSLTR2CYSLTR1
SCHEMBL3176587 0.78 PTGDR2 (0.59) PTGDR2PTGDRMMP13FAAHCYSLTR2

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 3 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
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

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.