SCHEMBL7517341

SCHEMBL7517341

O=C(O)COc1cccc2c1CCc1sc(SC(c3ccccc3)c3cccc(C(F)(F)F)c3)nc1-2

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 4/20 0.39
PPARD Q03181 15/20 0.39
PTGIR P43119 1/20 0.39
PPARA Q07869 1/20 0.36

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
SCHEMBL7519310 0.91 PTGIR (0.43) PTGIR
SCHEMBL7555836 0.89 PTGIR (0.41) PTGDR2PPARDPTGIR
SCHEMBL7523179 0.88 PTGIR (0.40) PTGDR2PPARDPTGIR
SCHEMBL7522033 0.87 PTGIR (0.41) PTGDR2PPARDPTGIR
SCHEMBL7526342 0.87 PTGIR (0.41) PTGDR2PTGIRPPARA
SCHEMBL7583941 0.87 PTGDR2 (0.41) PTGDR2PPARDPTGIR
SCHEMBL7518608 0.86 PTGIR (0.40) PTGDR2PTGIR
SCHEMBL7528277 0.86 PTGDR2 (0.41) PTGDR2PPARDPTGIR
SCHEMBL7524431 0.85 PTGIR (0.40) PTGDR2PPARDPTGIR
SCHEMBL7523906 0.84 PTGIR (0.39) PTGIR

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-6417213-B2 ANTICOAGULANTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-07-09 US disclosed
US-20020006944-A1 Tricyclic compounds, their production and use OHKAWA SHIGENORI (JP) 2002-01-17 US disclosed
US-6248766-B1 CARDIOVASCULAR DISORDERS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-06-19 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-20020006944-A1 Tricyclic compounds, their production and use CNR1, PTGER1, PTGDR PTGDR2 10/4885PPARD 942/4885PTGIR 11/4885

“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.