SCHEMBL4985745

SCHEMBL4985745

CC(C)Oc1cccc(-c2ccc(NC(=O)C(C)(N)CO)cc2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.52
RXRA P19793 1/20 0.51
RXRB P28702 1/20 0.51
S1PR1 P21453 5/20 0.47
S1PR3 Q99500 5/20 0.47
S1PR4 O95977 4/20 0.47
S1PR5 Q9H228 4/20 0.47
PTPN5 P54829 1/20 0.47
SLC13A5 Q86YT5 1/20 0.45
PLAU P00749 3/20 0.44
PLG P00747 2/20 0.44
PLAT P00750 2/20 0.44
FFAR4 Q5NUL3 3/20 0.44
CA2 P00918 1/20 0.44
GLA P06280 1/20 0.43
NR4A2 P43354 1/20 0.42
DHODH Q02127 1/20 0.42
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL4985736 1.00 CNR1 (0.52) CNR1RXRARXRBS1PR1S1PR3
SCHEMBL4979729 0.88 PLAU (0.54) CNR1S1PR1S1PR3S1PR4S1PR5
SCHEMBL4979733 0.88 PLAU (0.54) CNR1S1PR1S1PR3S1PR4S1PR5
SCHEMBL4983130 0.86 DHODH (0.54) RXRARXRBS1PR1S1PR3S1PR4
SCHEMBL4983141 0.86 DHODH (0.54) RXRARXRBS1PR1S1PR3S1PR4
SCHEMBL4983926 0.86 MTNR1B (0.53) S1PR1S1PR3S1PR4S1PR5CA2
SCHEMBL4983919 0.86 MTNR1B (0.53) S1PR1S1PR3S1PR4S1PR5CA2
SCHEMBL14263288 0.86 S1PR4 (0.55) S1PR1S1PR3S1PR4S1PR5GLA
SCHEMBL4977653 0.84 S1PR1 (0.50) RXRARXRBS1PR1S1PR3S1PR4
SCHEMBL4977641 0.84 S1PR1 (0.50) RXRARXRBS1PR1S1PR3S1PR4

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 4 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
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 CNR1 21/4885RXRA 1216/4885RXRB 934/4885
US-20060223866-A1 Methods and compositions for modulating sphingosine-1-phosphate (S1P) receptor activity S1PR1, S1PR2, S1PR3 CNR1 21/4885RXRA 1216/4885RXRB 934/4885
US-20060135786-A1 Methods and compositions for modulating sphingosine-1-phosphate (S1P) receptor activity S1PR1, S1PR2, S1PR3 CNR1 21/4885RXRA 1216/4885RXRB 934/4885

“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.