SCHEMBL4979834

SCHEMBL4979834

C[C@](N)(CO)C(=O)Nc1ccc(OCc2ccc(-c3ccccc3)cc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 9/20 0.74
S1PR3 Q99500 9/20 0.74
S1PR4 O95977 6/20 0.74
S1PR5 Q9H228 6/20 0.74
NPC1 O15118 4/20 0.53
RAB9A P51151 4/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
LTA4H P09960 2/20 0.53
ALDH1A1 P00352 1/20 0.50
FFAR1 O14842 1/20 0.50
CASP3 P42574 1/20 0.49
SENP8 Q96LD8 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
SENP6 Q9GZR1 1/20 0.49
GPR55 Q9Y2T6 1/20 0.49

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
SCHEMBL4979844 1.00 S1PR1 (0.74) S1PR1S1PR3S1PR4S1PR5NPC1
SCHEMBL4981969 0.89 S1PR1 (0.60) S1PR1S1PR3S1PR4S1PR5NPC1
SCHEMBL4981985 0.89 S1PR1 (0.60) S1PR1S1PR3S1PR4S1PR5NPC1
SCHEMBL4984696 0.89 S1PR1 (0.74) S1PR1S1PR3S1PR4S1PR5
SCHEMBL4984692 0.89 S1PR1 (0.74) S1PR1S1PR3S1PR4S1PR5
SCHEMBL4983989 0.88 S1PR1 (0.75) S1PR1S1PR3S1PR4S1PR5
SCHEMBL4629063 0.88 S1PR1 (0.75) S1PR1S1PR3S1PR4S1PR5
SCHEMBL4981018 0.87 S1PR1 (0.75) S1PR1S1PR3S1PR4S1PR5
SCHEMBL4981029 0.87 S1PR1 (0.75) S1PR1S1PR3S1PR4S1PR5
SCHEMBL5358576 0.87 S1PR1 (0.71) S1PR1S1PR3S1PR4S1PR5NPC1

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
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
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

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.