SCHEMBL1068290

SCHEMBL1068290

COc1cc(OC)nc(OC(C(=O)O)C(C)(c2ccccc2)C2C=CC=CC2=S(=O)=O)n1

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 20/20 0.55
EDNRA P25101 20/20 0.55

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
SCHEMBL8210078 0.85 EDNRB (0.55) EDNRBEDNRA
SCHEMBL9369015 0.74 EDNRB (0.76) EDNRBEDNRA
SCHEMBL6776490 0.74 EDNRB (0.76) EDNRBEDNRA
Darusentan SCHEMBL1068546 0.71 EDNRB (1.00) EDNRBEDNRA
Darusentan SCHEMBL795084 0.71 EDNRB (1.00) EDNRBEDNRA
SCHEMBL1067548 0.71 EDNRB (0.70) EDNRBEDNRA
SCHEMBL8113638 0.70 EDNRB (0.77) EDNRBEDNRA
SCHEMBL8115354 0.69 EDNRB (0.71) EDNRBEDNRA
SCHEMBL6776058 0.69 EDNRB (0.71) EDNRBEDNRA
SCHEMBL12228356 0.69 EDNRB (0.71) EDNRBEDNRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8349843-B2 Carboxylic acid derivatives, their preparation and use ABBOTT GMBH & CO. KG (DE) 2013-01-08 US disclosed
US-7863445-B2 Carboxylic acid derivatives, their preparation and use ABBOTT GMBH & CO. KG (DE) 2011-01-04 US disclosed
US-20100076188-A1 NOVEL CARBOXYLIC ACID DERIVATIVES, THEIR PREPARATION AND USE ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2010-03-25 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-20100076188-A1 NOVEL CARBOXYLIC ACID DERIVATIVES, THEIR PREPARATION AND USE HCAR1, HCAR2, HCAR3 EDNRB 359/4885EDNRA 313/4885

“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.