SCHEMBL4763404

SCHEMBL4763404

C[C@@](CO)(NC(=O)O)C(=O)Nc1ccc(OCCCCc2cccs2)cc1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 12/20 0.65
S1PR3 Q99500 12/20 0.65
S1PR4 O95977 6/20 0.48
S1PR5 Q9H228 6/20 0.48
NPC1 O15118 3/20 0.44
ALDH1A1 P00352 2/20 0.44
RAB9A P51151 2/20 0.44
MAPT P10636 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PPARA Q07869 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LTA4H P09960 1/20 0.40
TRPM8 Q7Z2W7 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 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
SCHEMBL14263343 0.85 S1PR1 (0.75) S1PR1S1PR3S1PR4S1PR5NPC1
SCHEMBL4724985 0.84 S1PR1 (0.62) S1PR1S1PR3S1PR4S1PR5PPARA
SCHEMBL4986288 0.83 S1PR1 (0.63) S1PR1S1PR3S1PR4S1PR5PPARA
SCHEMBL5171208 0.83 S1PR1 (0.71) S1PR1S1PR3S1PR4S1PR5NPC1
Trifluoroacetic Acid SCHEMBL27700992 0.82 S1PR1 (0.68) S1PR1S1PR3S1PR4S1PR5NPC1
Trifluoroacetic Acid SCHEMBL4612183 0.82 S1PR1 (0.68) S1PR1S1PR3S1PR4S1PR5NPC1
SCHEMBL4979350 0.81 S1PR1 (0.60) S1PR1S1PR3S1PR4S1PR5L3MBTL1
SCHEMBL4983634 0.81 S1PR1 (0.60) S1PR1S1PR3S1PR4S1PR5L3MBTL1
SCHEMBL4979835 0.81 S1PR1 (0.62) S1PR1S1PR3S1PR4S1PR5NPC1
SCHEMBL4981055 0.78 S1PR1 (1.00) S1PR1S1PR3S1PR4S1PR5

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 S1PR1 1/4885S1PR3 3/4885S1PR4 5/4885
US-20060223866-A1 Methods and compositions for modulating sphingosine-1-phosphate (S1P) receptor activity S1PR1, S1PR2, S1PR3 S1PR1 1/4885S1PR3 3/4885S1PR4 5/4885
US-20060135786-A1 Methods and compositions for modulating sphingosine-1-phosphate (S1P) receptor activity S1PR1, S1PR2, S1PR3 S1PR1 1/4885S1PR3 3/4885S1PR4 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.