SCHEMBL841061

SCHEMBL841061

COC(=O)Cc1cn(C2CCN(S(=O)(=O)c3ccc(OC(C)C)cc3)CC2)c2cc(Cl)ccc12

nearest known ligand 0.77

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 18/20 0.77
PTGDR Q13258 1/20 0.51
DHCR7 Q9UBM7 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
SCHEMBL840451 0.92 PTGDR2 (0.91) PTGDR2PTGDR
SCHEMBL840906 0.88 PTGDR2 (0.75) PTGDR2PTGDRDHCR7
SCHEMBL840632 0.87 PTGDR2 (1.00) PTGDR2PTGDR
SCHEMBL840823 0.87 PTGDR2 (1.00) PTGDR2PTGDR
SCHEMBL841162 0.85 PTGDR2 (0.79) PTGDR2PTGDR
SCHEMBL864300 0.84 PTGDR2 (0.83) PTGDR2PTGDRDHCR7
SCHEMBL10175789 0.83 PTGDR2 (1.00) PTGDR2PTGDRDHCR7
SCHEMBL841150 0.83 PTGDR2 (0.84) PTGDR2PTGDRDHCR7
SCHEMBL10175810 0.82 PTGDR2 (1.00) PTGDR2PTGDR
SCHEMBL840501 0.81 PTGDR2 (0.75) PTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8623903-B2 Indolecarboxylic acid derivative having PGD2 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2014-01-07 US disclosed
US-8623903-B2 Indolecarboxylic acid derivative having PGD2 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2014-01-07 US disclosed
US-20120142687-A1 INDOLECARBOXYLIC ACID DERIVATIVE HAVING PGD2 RECEPTOR ANTAGONISTIC ACTIVITY KUGIMIYA AKIRA (JP) 2012-06-07 US disclosed
US-20120142687-A1 INDOLECARBOXYLIC ACID DERIVATIVE HAVING PGD2 RECEPTOR ANTAGONISTIC ACTIVITY KUGIMIYA AKIRA (JP) 2012-06-07 US disclosed
US-8143285-B2 Indolecarboxylic acid derivative having PGD2 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2012-03-27 US disclosed
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
US-20090105274-A1 Indolecarboxylic Acid Derivative Having PGD2 Receptor Antagonistic Activity SHIONOGI & CO., LTD. (JP) 2009-04-23 US disclosed
EP-1932839-A1 INDOLECARBOXYLIC ACID DERIVATIVE HAVING PGD2 RECEPTOR ANTAGONISTIC ACTIVITY Shionogi Co., Ltd. (JP) 2008-06-18 EP 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 (2 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 8/4885PTGDR 1/4885DHCR7 710/4885
US-20120142687-A1 INDOLECARBOXYLIC ACID DERIVATIVE HAVING PGD2 RECEPTOR ANTAGONISTIC ACTIVITY PTGDR, CYSLTR1, CYSLTR2 PTGDR2 7/4885PTGDR 1/4885DHCR7 760/4885

“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.