SCHEMBL7520993

SCHEMBL7520993

COc1ccc(-c2nc3c(s2)C(SCc2ccccc2)Cc2c(OCC(=O)O)cccc2-3)cc1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 5/20 0.43
PTGIR P43119 4/20 0.42
PTGDR Q13258 1/20 0.42
PPARD Q03181 10/20 0.42
PTPN1 P18031 1/20 0.40

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
SCHEMBL7518610 0.92 PTGIR (0.41) PTGDR2PTGIRPTGDRPPARD
SCHEMBL7523182 0.91 PTGDR2 (0.41) PTGDR2PTGIRPTGDRPPARD
SCHEMBL7527946 0.90 PPARD (0.39) PTGDR2PTGIRPTGDRPPARDPTPN1
SCHEMBL7524434 0.90 TP53 (0.41) PTGDR2PTGIRPTGDRPPARD
SCHEMBL7522034 0.88 PTGIR (0.43) PTGDR2PTGIRPTGDRPPARD
SCHEMBL7521474 0.88 PTGDR2 (0.39) PTGDR2PTGIRPTGDRPPARD
SCHEMBL7526679 0.87 FFAR1 (0.38) PTGDR2PTGIRPTGDRPPARD
SCHEMBL7521166 0.87 PTGDR2 (0.42) PTGDR2PPARD
SCHEMBL7523911 0.86 PTGIR (0.39) PTGIRPTGDRPPARD
SCHEMBL7526347 0.86 PTGIR (0.43) PTGDR2PTGIRPTGDRPPARD

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 11/4885PTGDR 3/4885

“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.