SCHEMBL1884196

SCHEMBL1884196

CCCCc1c(C(=O)OC)c(C(C)C)n(Cc2ccccc2)c1CC

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.46
MAPK8 P45983 1/20 0.46
S1PR3 Q99500 6/20 0.43
ALDH1A1 P00352 2/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
PKM P14618 1/20 0.43
TDP1 Q9NUW8 1/20 0.41
PLA2G2A P14555 3/20 0.40

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
SCHEMBL1884473 0.89 MEN1 (0.43) S1PR3PLA2G2A
SCHEMBL12638315 0.82 AR (0.47) ARS1PR3ALDH1A1GAAMAPT
SCHEMBL1882164 0.80 AR (0.46) ARS1PR3ALDH1A1GAAMAPT
SCHEMBL1876284 0.80 AR (0.46) ARS1PR3ALDH1A1GAAMAPT
SCHEMBL1897486 0.78 S1PR3 (0.66) S1PR3
SCHEMBL1884629 0.77 AR (0.43) ARS1PR3ALDH1A1GAAMAPT
SCHEMBL1884630 0.77 AR (0.43) ARS1PR3ALDH1A1GAAMAPT
SCHEMBL1881339 0.76 MAPK8 (0.47) ARMAPK8S1PR3ALDH1A1GAA
SCHEMBL1887533 0.74 MAPK8 (0.50) ARMAPK8ALDH1A1GAAMAPT
SCHEMBL1890367 0.71 GAA (0.48) ARMAPK8ALDH1A1GAAMAPT

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 AR 1533/4885MAPK8 2119/4885S1PR3 3/4885

“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.