SCHEMBL4979835

SCHEMBL4979835

COc1ccc(CCCCOc2ccc(NC(=O)[C@](C)(CO)NC(=O)O)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 9/20 0.62
S1PR3 Q99500 9/20 0.62
S1PR4 O95977 5/20 0.52
S1PR5 Q9H228 5/20 0.52
PPARA Q07869 4/20 0.47
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.45
NPC1 O15118 1/20 0.45
ALDH1A1 P00352 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
MAPT P10636 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
PDK1 Q15118 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
SCHEMBL4724985 0.91 S1PR1 (0.62) S1PR1S1PR3S1PR4S1PR5PPARA
SCHEMBL4986288 0.90 S1PR1 (0.63) S1PR1S1PR3S1PR4S1PR5PPARA
SCHEMBL14263262 0.84 S1PR1 (0.74) S1PR1S1PR3S1PR4S1PR5PPARA
SCHEMBL4983634 0.83 S1PR1 (0.60) S1PR1S1PR3S1PR4S1PR5
SCHEMBL4979350 0.83 S1PR1 (0.60) S1PR1S1PR3S1PR4S1PR5
SCHEMBL4982166 0.82 S1PR1 (0.55) S1PR1S1PR3S1PR4S1PR5PPARA
Trifluoroacetic Acid SCHEMBL4630217 0.81 S1PR1 (0.67) S1PR1S1PR3S1PR4S1PR5PPARA
SCHEMBL4763404 0.81 S1PR1 (0.65) S1PR1S1PR3S1PR4S1PR5PPARA
SCHEMBL4631277 0.80 S1PR1 (0.52) S1PR1S1PR3S1PR4S1PR5PPARA
SCHEMBL4664502 0.78 S1PR1 (0.53) S1PR1S1PR3S1PR4S1PR5PPARA

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 6 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-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.