SCHEMBL10175899

SCHEMBL10175899

CCc1cn(C2CCN(S(=O)(=O)c3ccc(OC(C)C)cc3)CC2)c2ccccc12

nearest known ligand 0.78

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 14/20 0.78
DHCR7 Q9UBM7 1/20 0.55
PTGDR Q13258 2/20 0.49
PKM P14618 1/20 0.48
OPRM1 P35372 2/20 0.46
OPRL1 P41146 2/20 0.46
OPRK1 P41145 1/20 0.45

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
SCHEMBL10175838 0.94 PTGDR2 (0.82) PTGDR2DHCR7PTGDR
SCHEMBL841154 0.93 PTGDR2 (0.77) PTGDR2DHCR7PTGDRPKMOPRM1
SCHEMBL840801 0.90 PTGDR2 (0.90) PTGDR2DHCR7PTGDR
SCHEMBL840906 0.88 PTGDR2 (0.75) PTGDR2DHCR7PTGDRPKM
SCHEMBL10175763 0.88 PTGDR2 (1.00) PTGDR2DHCR7PTGDRPKM
SCHEMBL863566 0.88 PTGDR2 (0.81) PTGDR2DHCR7PTGDRPKM
SCHEMBL840264 0.87 PTGDR2 (0.83) PTGDR2DHCR7PTGDROPRM1OPRL1
SCHEMBL863373 0.86 PTGDR2 (0.81) PTGDR2DHCR7PTGDRPKM
SCHEMBL10225941 0.85 PTGDR2 (0.77) PTGDR2DHCR7PTGDRPKM
SCHEMBL863339 0.85 PTGDR2 (0.77) PTGDR2DHCR7PTGDR

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-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

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-20120142687-A1 INDOLECARBOXYLIC ACID DERIVATIVE HAVING PGD2 RECEPTOR ANTAGONISTIC ACTIVITY PTGDR, CYSLTR1, CYSLTR2 PTGDR2 7/4885DHCR7 760/4885PTGDR 1/4885

“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.