SCHEMBL1876291

SCHEMBL1876291

CCCCc1cc(C(=O)O)c(C(C)C)n1Cc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 8/20 0.53
AGTR2 P50052 6/20 0.53
NOTUM Q6P988 1/20 0.46
PPARG P37231 1/20 0.44

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
SCHEMBL1881339 0.88 MAPK8 (0.47) AGTR1AGTR2
SCHEMBL1880697 0.84 NOTUM (0.50) NOTUM
SCHEMBL1881262 0.84 NOTUM (0.45) AGTR1AGTR2NOTUMPPARG
SCHEMBL1873898 0.80 NOTUM (0.54) NOTUM
SCHEMBL1883795 0.80 S1PR3 (0.61)
SCHEMBL12672201 0.79 NOTUM (0.45) NOTUMPPARG
SCHEMBL1877594 0.79 NOTUM (0.68) NOTUM
SCHEMBL1884573 0.79 NOTUM (0.47) AGTR1AGTR2NOTUM
SCHEMBL12638300 0.75 NOTUM (0.49) NOTUM
SCHEMBL12672142 0.75 NOTUM (0.49) NOTUM

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-20110105567-A1 Pyrrole Compounds Having Sphingosine-1-Phosphate Receptor Agonist Or Antagonist Biological Activity ALLERGAN, INC. (US) 2011-05-05 US disclosed
EP-2185506-A1 PYRROLE COMPOUNDS HAVING SPHINGOSINE-1-PHOSPHATE RECEPTOR AGONIST OR ANTAGONIST BIOLOGICAL ACTIVITY Allergan, Inc. (US) 2010-05-19 EP disclosed
WO-2009026407-A1 PYRROLE COMPOUNDS HAVING SPHINGOSINE-1-PHOSPHATE RECEPTOR AGONIST OR ANTAGONIST BIOLOGICAL ACTIVITY ALLERGAN, INC. (US) 2009-02-26 WO 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-20110105567-A1 Pyrrole Compounds Having Sphingosine-1-Phosphate Receptor Agonist Or Antagonist Biological Activity S1PR1, S1PR2, S1PR3 AGTR1 300/4885AGTR2 376/4885NOTUM 822/4885

“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.