Sugi Predict

Sugi Predict / Compounds / SCHEMBL6007880

SCHEMBL6007880

SCHEMBL6007880

Cc1c(Oc2ccc(Cl)cc2)c2c(N(F)S(C)(=O)=O)cccc2n1CC(=O)O

nearest known ligand 0.67

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 19/20 0.67
▸ AKR1B1 P15121 8/20 0.47
▸ CYP2C9 P11712 1/20 0.46

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
SCHEMBL2040128 0.80 PTGDR2 (1.00) PTGDR2AKR1B1CYP2C9
SCHEMBL3371594 0.79 PTGDR2 (0.73) PTGDR2AKR1B1CYP2C9
SCHEMBL3368205 0.79 PTGDR2 (0.73) PTGDR2AKR1B1CYP2C9
SCHEMBL2049880 0.78 PTGDR2 (0.81) PTGDR2AKR1B1CYP2C9
SCHEMBL2052837 0.78 PTGDR2 (1.00) PTGDR2AKR1B1CYP2C9
SCHEMBL3368812 0.76 PTGDR2 (0.81) PTGDR2AKR1B1CYP2C9
SCHEMBL3371467 0.76 PTGDR2 (0.68) PTGDR2AKR1B1CYP2C9
SCHEMBL3369724 0.76 PTGDR2 (1.00) PTGDR2AKR1B1CYP2C9
SCHEMBL6006359 0.74 PTGDR2 (0.61) PTGDR2AKR1B1CYP2C9
SCHEMBL27990121 0.74 PTGDR2 (0.77) PTGDR2AKR1B1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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