SCHEMBL4983141

SCHEMBL4983141

CCOc1cccc(-c2ccc(NC(=O)C(C)(N)CO)cc2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.54
RXRA P19793 1/20 0.53
RXRB P28702 1/20 0.53
CTPS1 P17812 2/20 0.51
S1PR1 P21453 6/20 0.47
S1PR3 Q99500 6/20 0.47
S1PR4 O95977 5/20 0.47
S1PR5 Q9H228 5/20 0.47
SLC13A5 Q86YT5 1/20 0.45
ALDH1A1 P00352 2/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TP53 P04637 1/20 0.44
FFAR1 O14842 1/20 0.43
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL4983130 1.00 DHODH (0.54) DHODHRXRARXRBCTPS1S1PR1
SCHEMBL4977641 0.91 S1PR1 (0.50) DHODHRXRARXRBCTPS1S1PR1
SCHEMBL4977653 0.91 S1PR1 (0.50) DHODHRXRARXRBCTPS1S1PR1
SCHEMBL14263147 0.90 S1PR1 (0.60) DHODHS1PR1S1PR3S1PR4S1PR5
SCHEMBL4979419 0.90 S1PR1 (0.53) DHODHS1PR1S1PR3S1PR4S1PR5
SCHEMBL27701004 0.90 S1PR1 (0.53) DHODHS1PR1S1PR3S1PR4S1PR5
SCHEMBL4979733 0.88 PLAU (0.54) DHODHS1PR1S1PR3S1PR4S1PR5
SCHEMBL4979729 0.88 PLAU (0.54) DHODHS1PR1S1PR3S1PR4S1PR5
SCHEMBL4981985 0.87 S1PR1 (0.60) DHODHS1PR1S1PR3S1PR4S1PR5
SCHEMBL4981969 0.87 S1PR1 (0.60) DHODHS1PR1S1PR3S1PR4S1PR5

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 DHODH 3766/4885RXRA 1216/4885RXRB 934/4885
US-20060223866-A1 Methods and compositions for modulating sphingosine-1-phosphate (S1P) receptor activity S1PR1, S1PR2, S1PR3 DHODH 3766/4885RXRA 1216/4885RXRB 934/4885
US-20060135786-A1 Methods and compositions for modulating sphingosine-1-phosphate (S1P) receptor activity S1PR1, S1PR2, S1PR3 DHODH 3766/4885RXRA 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.