SCHEMBL4979729

SCHEMBL4979729

COc1cccc(-c2ccc(NC(=O)[C@@](C)(N)CO)cc2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 4/20 0.54
PLG P00747 2/20 0.54
PLAT P00750 2/20 0.54
CNR1 P21554 2/20 0.50
S1PR1 P21453 2/20 0.49
S1PR3 Q99500 2/20 0.49
S1PR4 O95977 1/20 0.49
S1PR5 Q9H228 1/20 0.49
PDK1 Q15118 1/20 0.49
PDK2 Q15119 1/20 0.49
PDK3 Q15120 1/20 0.49
PDK4 Q16654 1/20 0.49
CYP3A4 P08684 1/20 0.47
CYP3A5 P20815 1/20 0.47
ABCC9 O60706 1/20 0.47
ABCC8 Q09428 1/20 0.47
KCNJ11 Q14654 1/20 0.47
KCNJ8 Q15842 1/20 0.47
MAPT P10636 2/20 0.46
MAPK1 P28482 2/20 0.46

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
SCHEMBL4979733 1.00 PLAU (0.54) PLAUPLGPLATCNR1S1PR1
SCHEMBL4985736 0.88 CNR1 (0.52) PLAUPLGPLATCNR1S1PR1
SCHEMBL4983130 0.88 DHODH (0.54) S1PR1S1PR3S1PR4S1PR5MAPT
SCHEMBL4985745 0.88 CNR1 (0.52) PLAUPLGPLATCNR1S1PR1
SCHEMBL4983141 0.88 DHODH (0.54) S1PR1S1PR3S1PR4S1PR5MAPT
SCHEMBL14263163 0.87 PDK1 (0.57) PLAUS1PR1S1PR3S1PR4S1PR5
SCHEMBL4977641 0.86 S1PR1 (0.50) S1PR1S1PR3S1PR4S1PR5MAPT
SCHEMBL4977653 0.86 S1PR1 (0.50) S1PR1S1PR3S1PR4S1PR5MAPT
SCHEMBL4986270 0.85 MTNR1B (0.62) S1PR1S1PR3S1PR4S1PR5PDK1
SCHEMBL4986253 0.85 MTNR1B (0.62) S1PR1S1PR3S1PR4S1PR5PDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080064662-A1 Methods and compositions for modulating sphingosine -1- phosphate (S1P) receptor activity PRAECIS PHARMACEUTICALS INCORPORATED (US) 2008-03-13 US disclosed
US-20080064662-A1 Methods and compositions for modulating sphingosine -1- phosphate (S1P) receptor activity PRAECIS PHARMACEUTICALS INCORPORATED (US) 2008-03-13 US disclosed
US-20080064662-A1 Methods and compositions for modulating sphingosine -1- phosphate (S1P) receptor activity PRAECIS PHARMACEUTICALS INCORPORATED (US) 2008-03-13 US disclosed
US-7241812-B2 Methods and compositions for modulating sphingosine-1-phosphate (S1P) receptor activity PRAECIS PHARMACEUTICALS, INC. (US) 2007-07-10 US disclosed
US-7241812-B2 Methods and compositions for modulating sphingosine-1-phosphate (S1P) receptor activity PRAECIS PHARMACEUTICALS, INC. (US) 2007-07-10 US disclosed
US-7241812-B2 Methods and compositions for modulating sphingosine-1-phosphate (S1P) receptor activity PRAECIS PHARMACEUTICALS, INC. (US) 2007-07-10 US disclosed
EP-1781595-A1 METHODS AND COMPOSITIONS FOR MODULATING SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR ACTIVITY Praecis Pharmaceuticals Inc. (US) 2007-05-09 EP disclosed
US-20060223866-A1 Methods and compositions for modulating sphingosine-1-phosphate (S1P) receptor activity PRAECIS PHARMACEUTICALS, INC. (US) 2006-10-05 US disclosed
US-20060135786-A1 Methods and compositions for modulating sphingosine-1-phosphate (S1P) receptor activity PRAECIS PHAMACEUTICALS, INC. (US) 2006-06-22 US disclosed
WO-2006020951-A1 METHODS AND COMPOSITIONS FOR MODULATING SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR ACTIVITY PRAECIS PHARMACEUTICALS, INC. (US) 2006-02-23 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 (3 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-20080064662-A1 Methods and compositions for modulating sphingosine -1- phosphate (S1P) receptor activity S1PR1, S1PR2, S1PR3 PLAU 1983/4885PLG 1037/4885PLAT 2385/4885
US-20060223866-A1 Methods and compositions for modulating sphingosine-1-phosphate (S1P) receptor activity S1PR1, S1PR2, S1PR3 PLAU 1983/4885PLG 1037/4885PLAT 2385/4885
US-20060135786-A1 Methods and compositions for modulating sphingosine-1-phosphate (S1P) receptor activity S1PR1, S1PR2, S1PR3 PLAU 1983/4885PLG 1037/4885PLAT 2385/4885

“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.