SCHEMBL7520989

SCHEMBL7520989

COc1ccc(C(Sc2nc3c(s2)CCc2c(OCC(=O)O)cccc2-3)c2ccccc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 7/20 0.40
PTGIR P43119 5/20 0.39
PPARG P37231 4/20 0.39
PPARA Q07869 4/20 0.39
PTGDR Q13258 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.37

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 0.93 PTGIR (0.43) PTGIRPTGDRNPC1RAB9A
SCHEMBL7518608 0.92 PTGIR (0.40) PTGIRPTGDRNPC1RAB9APTGDR2
SCHEMBL7523179 0.90 PTGIR (0.40) PPARDPTGIRPTGDRPTGDR2
SCHEMBL7524431 0.90 PTGIR (0.40) PPARDPTGIRPTGDRPTGDR2
SCHEMBL7528277 0.88 PTGDR2 (0.41) PPARDPTGIRPTGDRPTGDR2
SCHEMBL7522033 0.88 PTGIR (0.41) PPARDPTGIRPTGDRNPC1RAB9A
SCHEMBL7522740 0.88 PTGIR (0.37) PPARDPTGIRPPARAPTGDRPTGDR2
SCHEMBL7521471 0.87 PTGIR (0.38) PTGIRPTGDRPTGDR2
SCHEMBL7521164 0.86 PTGDR2 (0.39) PPARDPTGIRPPARAPTGDRPTGDR2
SCHEMBL7526675 0.86 PTGIR (0.39) PPARDPTGIRPTGDRNPC1RAB9A

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 PPARD 942/4885PTGIR 11/4885PPARG 342/4885

“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.