SCHEMBL4631317

SCHEMBL4631317

C[C@@](CO)(NC(=O)O)C(=O)Nc1ccc(O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.46
MAPT P10636 5/20 0.46
THRB P10828 4/20 0.46
GAA P10253 3/20 0.46
RECQL P46063 2/20 0.46
KDM4E B2RXH2 1/20 0.45
TP53 P04637 1/20 0.45
PLEC Q15149 1/20 0.45
CYP1A1 P04798 2/20 0.44
MEN1 O00255 1/20 0.44
CA12 O43570 1/20 0.44
BRD4 O60885 1/20 0.44
NR1I2 O75469 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
MB P02144 1/20 0.44
CA3 P07451 1/20 0.44
CYP3A4 P08684 1/20 0.44
RARG P13631 1/20 0.44

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
SCHEMBL4985260 0.85 KIF11 (0.49) L3MBTL1MAPTMEN1KMT2APOLB
SCHEMBL14263255 0.82 GAA (0.42) L3MBTL1MAPTTHRBGAARECQL
SCHEMBL14274252 0.79 MAPT (0.41) L3MBTL1MAPTTHRBGAARECQL
SCHEMBL4983205 0.77 APP (0.50) MEN1ALDH1A1KMT2A
SCHEMBL4980002 0.76 S1PR4 (0.62) MAPTKDM4EMEN1ALDH1A1KMT2A
SCHEMBL4979350 0.76 S1PR1 (0.60) L3MBTL1GAA
SCHEMBL4983634 0.76 S1PR1 (0.60) L3MBTL1GAA
SCHEMBL27681689 0.76 MIF (0.41) L3MBTL1MAPTTHRBGAARECQL
SCHEMBL11039994 0.76 L3MBTL1 (0.50) L3MBTL1MAPTTHRBGAARECQL
SCHEMBL97686 0.75 MEN1 (0.54) L3MBTL1MAPTTHRBGAARECQL

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-1981837-A2 METHODS AND COMPOSITIONS FOR MODULATING SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR ACTIVITY Praecis Pharmaceuticals Incorporated (US) 2008-10-22 EP disclosed
US-20080064662-A1 Methods and compositions for modulating sphingosine -1- phosphate (S1P) receptor activity PRAECIS PHARMACEUTICALS INCORPORATED (US) 2008-03-13 US disclosed
WO-2007092190-A2 METHODS AND COMPOSITIONS FOR MODULATING SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR ACTIVITY PRAECIS PHARMACEUTICALS, INC. (US) 2007-08-16 WO 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 L3MBTL1 4436/4885MAPT 2725/4885THRB 514/4885
US-20060223866-A1 Methods and compositions for modulating sphingosine-1-phosphate (S1P) receptor activity S1PR1, S1PR2, S1PR3 L3MBTL1 4436/4885MAPT 2725/4885THRB 514/4885
US-20060135786-A1 Methods and compositions for modulating sphingosine-1-phosphate (S1P) receptor activity S1PR1, S1PR2, S1PR3 L3MBTL1 4436/4885MAPT 2725/4885THRB 514/4885

“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.