SCHEMBL1884473

SCHEMBL1884473

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

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
HTT P42858 1/20 0.42
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
PLA2G2A P14555 2/20 0.40
AGTR1 P30556 2/20 0.40
AGTR2 P50052 2/20 0.40
S1PR3 Q99500 2/20 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
SCHEMBL1884196 0.89 AR (0.46) PLA2G2AS1PR3
SCHEMBL1897486 0.80 S1PR3 (0.66) S1PR3
SCHEMBL1876291 0.73 AGTR1 (0.53) AGTR1AGTR2
SCHEMBL1884573 0.72 NOTUM (0.47) AGTR1AGTR2
SCHEMBL12638315 0.71 AR (0.47) PLA2G2AS1PR3
SCHEMBL337115 0.70 S1PR3 (0.61) S1PR3
SCHEMBL28803583 0.70 POLB (0.50) SMN1; SMN2LMNATSHR
SCHEMBL1882164 0.70 AR (0.46) PLA2G2AS1PR3
SCHEMBL1876284 0.70 AR (0.46) LMNAPLA2G2AS1PR3
SCHEMBL12672146 0.69 S1PR3 (0.71) S1PR3

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 MEN1 3298/4885KMT2A 4539/4885SMN1; SMN2 2342/4885

“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.