SCHEMBL4981969

SCHEMBL4981969

C[C@](N)(CO)C(=O)Nc1ccc(-c2cccc(OCc3ccccc3)c2)cc1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 6/20 0.60
S1PR3 Q99500 6/20 0.60
S1PR4 O95977 5/20 0.60
S1PR5 Q9H228 5/20 0.60
PDK1 Q15118 1/20 0.56
PDK2 Q15119 1/20 0.56
PDK3 Q15120 1/20 0.56
PDK4 Q16654 1/20 0.56
MRGPRX4 Q96LA9 2/20 0.50
NR1H4 Q96RI1 1/20 0.50
HDAC4 P56524 1/20 0.49
F10 P00742 2/20 0.48
SMPD1 P17405 1/20 0.47
NR4A2 P43354 1/20 0.47
LTA4H P09960 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
DHODH Q02127 1/20 0.46

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
SCHEMBL4981985 1.00 S1PR1 (0.60) S1PR1S1PR3S1PR4S1PR5PDK1
SCHEMBL4979844 0.89 S1PR1 (0.74) S1PR1S1PR3S1PR4S1PR5LTA4H
SCHEMBL4979834 0.89 S1PR1 (0.74) S1PR1S1PR3S1PR4S1PR5LTA4H
SCHEMBL4766907 0.88 S1PR1 (0.54) S1PR1S1PR3S1PR4S1PR5PDK1
SCHEMBL4983885 0.87 PDK1 (0.56) S1PR1S1PR3S1PR4S1PR5PDK1
SCHEMBL4983899 0.87 PDK1 (0.56) S1PR1S1PR3S1PR4S1PR5PDK1
SCHEMBL4983141 0.87 DHODH (0.54) S1PR1S1PR3S1PR4S1PR5DHODH
SCHEMBL4983130 0.87 DHODH (0.54) S1PR1S1PR3S1PR4S1PR5DHODH
SCHEMBL4977641 0.85 S1PR1 (0.50) S1PR1S1PR3S1PR4S1PR5NR1H4
SCHEMBL4977653 0.85 S1PR1 (0.50) S1PR1S1PR3S1PR4S1PR5NR1H4

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 9 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
CN-101018761-A Methods and compositions for modulating sphingosine-1-phosphate (S1P) receptor activity PRAECIS PHARM INC (US) 2007-08-15 CN 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.