SCHEMBL3027261

SCHEMBL3027261

CCCCCCOc1ccc(CN(CCC(=O)O)C(C)C)cc1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PLA2G4B P0C869 7/20 0.53
S1PR1 P21453 2/20 0.52
S1PR3 Q99500 2/20 0.52
S1PR4 O95977 1/20 0.52
GAA P10253 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
PPARG P37231 2/20 0.51
PPARA Q07869 1/20 0.51
TP53 P04637 1/20 0.50
TSHR P16473 1/20 0.50
THRA P10827 1/20 0.49
THRB P10828 1/20 0.49

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
SCHEMBL15701705 0.81 HRH3 (0.50)
SCHEMBL950435 0.78 FFAR1 (0.54) S1PR1S1PR3
SCHEMBL2185137 0.77 LMNA (0.79) PLA2G4BS1PR1S1PR3S1PR4L3MBTL1
SCHEMBL17320238 0.77 LMNA (0.79) PLA2G4BS1PR1S1PR3S1PR4L3MBTL1
SCHEMBL2183912 0.77 LMNA (0.79) PLA2G4BS1PR1S1PR3S1PR4L3MBTL1
SCHEMBL8558255 0.77 LMNA (0.79) PLA2G4BS1PR1S1PR3S1PR4L3MBTL1
SCHEMBL8378949 0.77 LMNA (0.79) PLA2G4BS1PR1S1PR3S1PR4L3MBTL1
SCHEMBL3488457 0.77 LMNA (0.79) PLA2G4BS1PR1S1PR3S1PR4L3MBTL1
SCHEMBL6497674 0.77 LMNA (0.79) PLA2G4BS1PR1S1PR3S1PR4L3MBTL1
SCHEMBL6496565 0.77 LMNA (0.79) PLA2G4BS1PR1S1PR3S1PR4L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2395835-A1 AGONISTS AND ANTAGONISTS OF THE SIP5 RECEPTOR, AND METHODS OF USES THEREOF Abbott Laboratories (US) 2011-12-21 EP claimed
US-20100216762-A1 Agonists and Antagonists of the S1P5 Receptor, and Methods of Use Thereof ABBOTT LABORATORIES (US) 2010-08-26 US claimed
WO-2010093704-A1 AGONISTS AND ANTAGONISTS OF THE S1P5 RECEPTOR, AND METHODS OF USES THEREOF ABBOTT LABORATORIES (US) 2010-08-19 WO claimed
EP-2395835-A1 AGONISTS AND ANTAGONISTS OF THE SIP5 RECEPTOR, AND METHODS OF USES THEREOF Abbott Laboratories (US) 2011-12-21 EP disclosed
US-20100216762-A1 Agonists and Antagonists of the S1P5 Receptor, and Methods of Use Thereof ABBOTT LABORATORIES (US) 2010-08-26 US disclosed
US-20100216762-A1 Agonists and Antagonists of the S1P5 Receptor, and Methods of Use Thereof ABBOTT LABORATORIES (US) 2010-08-26 US disclosed
US-20100216762-A1 Agonists and Antagonists of the S1P5 Receptor, and Methods of Use Thereof ABBOTT LABORATORIES (US) 2010-08-26 US disclosed
WO-2010093704-A1 AGONISTS AND ANTAGONISTS OF THE S1P5 RECEPTOR, AND METHODS OF USES THEREOF ABBOTT LABORATORIES (US) 2010-08-19 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-20100216762-A1 Agonists and Antagonists of the S1P5 Receptor, and Methods of Use Thereof S1PR5, LPAR5, S1PR1 PLA2G4B 299/4885S1PR1 3/4885S1PR3 5/4885

“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.