SCHEMBL7524911

SCHEMBL7524911

O=C(O)COc1cccc2c1CCc1sc(S(=O)(=O)CCCC(c3ccccc3)c3ccccc3)nc1-2

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 16/20 0.39
PTGDR Q13258 1/20 0.35
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
TBXA2R P21731 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
PTGDR2 Q9Y5Y4 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
SCHEMBL7521965 0.95 PTGIR (0.40) PTGIRPTGDRMEN1POLBKMT2A
SCHEMBL7523923 0.92 ADORA1 (0.38) PTGIRMEN1POLBKMT2ATBXA2R
SCHEMBL7525237 0.89 PTGIR (0.41) PTGIRPTGDRMEN1POLBKMT2A
SCHEMBL7529067 0.86 ADORA1 (0.39) PTGIRMEN1POLBKMT2ATBXA2R
SCHEMBL7520084 0.84 PTGIR (0.42) PTGIRPTGDRMEN1POLBKMT2A
SCHEMBL7529042 0.83 PTGIR (0.41) PTGIRPTGDRMEN1POLBKMT2A
SCHEMBL7514860 0.81 PTGIR (0.42) PTGIRPTGDRMEN1POLBKMT2A
SCHEMBL7519017 0.81 PTGIR (0.42) PTGIRPTGDRMEN1POLBKMT2A
SCHEMBL7527902 0.81 PTGIR (0.39) PTGIRPTGDRPTGDR2
SCHEMBL7528910 0.80 PTGIR (0.39) PTGIRPTGDRPTGDR2

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 PTGIR 11/4885PTGDR 3/4885MEN1 2854/4885

“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.