SCHEMBL7528277

SCHEMBL7528277

O=C(O)COc1cccc2c1CCc1sc(SC(c3ccc(F)cc3)c3ccc(F)cc3)nc1-2

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.41
PTGIR P43119 11/20 0.38
PPARD Q03181 5/20 0.37
DHODH Q02127 1/20 0.36
PTGDR Q13258 6/20 0.36
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL7523179 0.98 PTGIR (0.40) PTGDR2PTGIRPPARDDHODHPTGDR
SCHEMBL7519310 0.93 PTGIR (0.43) PTGIRPTGDRMEN1POLBKMT2A
SCHEMBL7555836 0.92 PTGIR (0.41) PTGDR2PTGIRPPARDDHODHPTGDR
SCHEMBL7583941 0.92 PTGDR2 (0.41) PTGDR2PTGIRPPARDDHODHPTGDR
SCHEMBL7522740 0.92 PTGIR (0.37) PTGDR2PTGIRPPARDPTGDRMEN1
SCHEMBL7518608 0.91 PTGIR (0.40) PTGDR2PTGIRPTGDRTDP1
SCHEMBL7524431 0.90 PTGIR (0.40) PTGDR2PTGIRPPARDPTGDR
SCHEMBL7523906 0.88 PTGIR (0.39) PTGIRDHODHPTGDR
SCHEMBL7520989 0.88 PPARD (0.40) PTGDR2PTGIRPPARDPTGDR
SCHEMBL7521471 0.88 PTGIR (0.38) PTGDR2PTGIRPTGDR

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 10/4885PTGIR 11/4885PPARD 942/4885

“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.