SCHEMBL3373845

SCHEMBL3373845

CSc1ccc(Oc2c(C)n(CC(=O)O)c3ccc(F)cc23)cc1

nearest known ligand 0.76

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 20/20 0.76
AKR1B1 P15121 3/20 0.57
PTGDR Q13258 2/20 0.45
PTGIR P43119 1/20 0.45
CYP2C9 P11712 1/20 0.45

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
SCHEMBL3373574 0.87 PTGDR2 (0.76) PTGDR2AKR1B1CYP2C9
SCHEMBL2049959 0.86 PTGDR2 (1.00) PTGDR2AKR1B1CYP2C9
SCHEMBL2050867 0.86 PTGDR2 (0.79) PTGDR2AKR1B1PTGDRPTGIRCYP2C9
SCHEMBL2036025 0.83 PTGDR2 (0.74) PTGDR2AKR1B1PTGDRPTGIRCYP2C9
SCHEMBL3368147 0.83 PTGDR2 (0.74) PTGDR2AKR1B1PTGDRCYP2C9
SCHEMBL2050711 0.83 PTGDR2 (0.74) PTGDR2AKR1B1PTGDRPTGIRCYP2C9
SCHEMBL2053285 0.83 PTGDR2 (0.70) PTGDR2AKR1B1PTGDRPTGIRCYP2C9
SCHEMBL2032091 0.82 PTGDR2 (0.80) PTGDR2AKR1B1PTGDR
SCHEMBL3372375 0.82 PTGDR2 (0.72) PTGDR2AKR1B1PTGDRPTGIR
SCHEMBL2053218 0.81 PTGDR2 (0.70) PTGDR2AKR1B1PTGDR

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1656347-B1 SUBSTITUTED INDOLE DERIVATIVES FOR PHARMACEUTICAL COMPOSITION FOR TREATING RESPIRATORY DISEASES ASTRAZENECA AB (SE) 2010-10-13 EP disclosed
US-7709521-B2 Substituted indole derivatives for pharmaceutical compositions for treating respiratory diseases ASTRAZENECA AB (SE) 2010-05-04 US disclosed
US-20060264444-A1 Substituted indole derivatives for pharmaceutical compositions for treating respiratory diseases ASTRAZENECA AB (SE) 2006-11-23 US disclosed
EP-1656347-A1 SUBSTITUTED INDOLE DERIVATIVES FOR PHARMACEUTICAL COMPOSITION FOR TREATING RESPIRATORY DISEASES Astrazeneca AB (SE) 2006-05-17 EP disclosed
WO-2005019171-A1 SUBSTITUTED INDOLE DERIVATIVES FOR PHARMACEUTICAL COMPOSITION FOR TREATING RESPIRATORY DISEASES ASTRAZENECA AB (SE) 2005-03-03 WO 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-20060264444-A1 Substituted indole derivatives for pharmaceutical compositions for treating respiratory diseases IDO1, IDO2, TPH1 PTGDR2 303/4885AKR1B1 296/4885PTGDR 204/4885

“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.