SCHEMBL863537

SCHEMBL863537

COc1ccc2c(C)cn([C@@H]3CCN(S(=O)(=O)c4ccc(OC(C)C)cc4)C3)c2c1

nearest known ligand 0.81

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 18/20 0.81
DHCR7 Q9UBM7 1/20 0.50
ALDH1A1 P00352 1/20 0.43
CYP2D6 P10635 1/20 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
SCHEMBL10225046 0.90 PTGDR2 (0.80) PTGDR2DHCR7
SCHEMBL10175795 0.90 PTGDR2 (1.00) PTGDR2DHCR7
SCHEMBL10226373 0.90 PTGDR2 (1.00) PTGDR2DHCR7
SCHEMBL840833 0.87 PTGDR2 (0.82) PTGDR2DHCR7
SCHEMBL10175783 0.84 PTGDR2 (1.00) PTGDR2DHCR7
SCHEMBL10175789 0.84 PTGDR2 (1.00) PTGDR2DHCR7
SCHEMBL10175886 0.82 PTGDR2 (0.79) PTGDR2DHCR7
SCHEMBL10175763 0.81 PTGDR2 (1.00) PTGDR2DHCR7
SCHEMBL864300 0.79 PTGDR2 (0.83) PTGDR2DHCR7
SCHEMBL10212487 0.78 PTGDR2 (0.71) PTGDR2DHCR7

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-8143285-B2 Indolecarboxylic acid derivative having PGD2 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2012-03-27 US disclosed
US-20090105274-A1 Indolecarboxylic Acid Derivative Having PGD2 Receptor Antagonistic Activity SHIONOGI & CO., LTD. (JP) 2009-04-23 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-20090105274-A1 Indolecarboxylic Acid Derivative Having PGD2 Receptor Antagonistic Activity PTGDR, CYSLTR1, CNR1 PTGDR2 8/4885DHCR7 710/4885ALDH1A1 2660/4885

“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.