SCHEMBL17827487

SCHEMBL17827487

Cc1c(B(O)O)c2cccnc2n1S(=O)(=O)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 16/20 0.63
CCKAR P32238 1/20 0.47
LATS1 O95835 1/20 0.46
HTR6 P50406 2/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL1773016 0.82 PTGDR2 (0.67) PTGDR2CCKARLATS1HTR6CYP2C19
SCHEMBL4583577 0.80 PTGDR2 (0.64) PTGDR2CCKARLATS1HTR6CYP2C19
SCHEMBL15635129 0.80 PTGDR2 (0.64) PTGDR2CCKARLATS1HTR6CYP2C19
SCHEMBL1941139 0.78 PTGDR2 (1.00) PTGDR2CCKAR
Formamide SCHEMBL28651025 0.77 PTGDR2 (0.60) PTGDR2CCKARLATS1HTR6CYP2C19
SCHEMBL1898444 0.77 PTGDR2 (0.66) PTGDR2CCKARLATS1
SCHEMBL2985851 0.75 PTGDR2 (0.49) PTGDR2CCKARHTR6CYP2C19
SCHEMBL20005127 0.75 PTGDR2 (0.57) PTGDR2CCKARLATS1HTR6CYP2C19
SCHEMBL17394567 0.74 HTR6 (0.58) PTGDR2HTR6CYP2C19
SCHEMBL4616627 0.72 PTGDR2 (0.55) PTGDR2CCKARLATS1HTR6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160168147-A1 ISOTOPICALLY ENRICHED AZAINDOLES VERTEX PHARMA (US) 2016-06-16 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-20160168147-A1 ISOTOPICALLY ENRICHED AZAINDOLES JAK2, JAK1, JAK3 PTGDR2 1504/4885CCKAR 2728/4885LATS1 294/4885

“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.