SCHEMBL3033458

SCHEMBL3033458

CCCCCCOc1ccc(CN2CC(C)C(C(=O)O)C2)cc1

nearest known ligand 0.83

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 13/20 0.83
S1PR1 P21453 9/20 0.76
S1PR3 Q99500 6/20 0.76
RAB9A P51151 4/20 0.56
NPC1 O15118 3/20 0.56
TP53 P04637 2/20 0.55
HPGD P15428 1/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
GAA P10253 1/20 0.55
S1PR4 O95977 1/20 0.54
ALDH1A1 P00352 1/20 0.52
CYP2D6 P10635 1/20 0.52

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
SCHEMBL3031508 0.93 S1PR5 (0.83) S1PR5S1PR1S1PR3RAB9ANPC1
SCHEMBL3041031 0.91 S1PR5 (1.00) S1PR5S1PR1S1PR3RAB9ANPC1
SCHEMBL3043580 0.86 S1PR5 (1.00) S1PR5S1PR1S1PR3S1PR4
SCHEMBL3043562 0.85 S1PR5 (1.00) S1PR5S1PR1S1PR3S1PR4
SCHEMBL3031896 0.82 S1PR5 (0.95) S1PR5S1PR1S1PR3S1PR4
SCHEMBL3044971 0.80 S1PR5 (1.00) S1PR5S1PR1S1PR3RAB9AMEN1
SCHEMBL3036736 0.80 S1PR5 (1.00) S1PR5S1PR1S1PR3RAB9AMEN1
SCHEMBL13271335 0.80 S1PR5 (1.00) S1PR5S1PR1S1PR3RAB9AMEN1
SCHEMBL3041709 0.80 S1PR5 (1.00) S1PR5S1PR1S1PR3RAB9ANPC1
SCHEMBL13938049 0.78 S1PR5 (0.80) S1PR5S1PR1S1PR3S1PR4

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 9 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
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 S1PR5 1/4885S1PR1 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.