SCHEMBL3564285

SCHEMBL3564285

CCOC(=O)Cn1c(C)c(Sc2ccc(Cl)cc2)c2c(NS(=O)(=O)N(C)C)cccc21

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 20/20 0.65
AKR1B1 P15121 8/20 0.65
CYP2C9 P11712 1/20 0.65
SLC6A4 P31645 1/20 0.42

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
SCHEMBL1249166 0.89 PTGDR2 (0.81) PTGDR2AKR1B1CYP2C9SLC6A4
SCHEMBL4250963 0.85 PTGDR2 (0.62) PTGDR2AKR1B1CYP2C9SLC6A4
SCHEMBL904388 0.84 PTGDR2 (0.79) PTGDR2AKR1B1CYP2C9SLC6A4
SCHEMBL11891652 0.80 PTGDR2 (0.61) PTGDR2AKR1B1CYP2C9SLC6A4
SCHEMBL11891659 0.79 PTGDR2 (0.66) PTGDR2AKR1B1CYP2C9SLC6A4
SCHEMBL13224608 0.79 PTGDR2 (0.59) PTGDR2AKR1B1CYP2C9SLC6A4
SCHEMBL1249444 0.79 PTGDR2 (1.00) PTGDR2AKR1B1CYP2C9SLC6A4
SCHEMBL11891653 0.77 PTGDR2 (0.57) PTGDR2AKR1B1CYP2C9SLC6A4
SCHEMBL27847238 0.75 PTGDR2 (0.71) PTGDR2AKR1B1CYP2C9SLC6A4
SCHEMBL1251032 0.75 PTGDR2 (0.78) PTGDR2AKR1B1CYP2C9SLC6A4

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
US-7687535-B2 Substituted 3-sulfur indoles ASTRAZENECA AB (SE) 2010-03-30 US disclosed
US-20080249110-A1 Novel Substituted 3-Sulfur Indoles ASTRAZENECA AB (SE) 2008-10-09 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-20080249110-A1 Novel Substituted 3-Sulfur Indoles IDO1, IDO2, AANAT PTGDR2 885/4885AKR1B1 2196/4885CYP2C9 1092/4885

“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.