SCHEMBL4987644

SCHEMBL4987644

O=C(CBr)c1ccc(OCCCCc2ccccc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PLA2G4B P0C869 2/20 0.63
FFAR1 O14842 3/20 0.62
NR1H4 Q96RI1 1/20 0.55
S1PR1 P21453 5/20 0.54
S1PR3 Q99500 1/20 0.53
S1PR5 Q9H228 1/20 0.53
PTPN1 P18031 2/20 0.51
GSK3B P49841 2/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
DPP4 P27487 1/20 0.50
PLA2G2A P14555 1/20 0.50
PLA2G4A P47712 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
SCHEMBL4983185 0.99 PLA2G4B (0.65) PLA2G4BFFAR1NR1H4S1PR1S1PR3
SCHEMBL2312866 0.84 PLA2G4B (0.83) PLA2G4BFFAR1NR1H4S1PR1S1PR3
Hydrochloric Acid SCHEMBL4253646 0.83 PLA2G4B (0.81) PLA2G4BFFAR1NR1H4S1PR1S1PR3
SCHEMBL4373447 0.83 PLA2G4B (0.86) PLA2G4BFFAR1NR1H4S1PR1S1PR3
SCHEMBL4366698 0.83 PLA2G4B (0.86) PLA2G4BFFAR1NR1H4S1PR1S1PR3
SCHEMBL13131233 0.82 GSK3B (0.64) PTPN1GSK3BNPC1RAB9ADPP4
SCHEMBL4253642 0.82 PLA2G4B (0.66) PLA2G4BFFAR1NR1H4S1PR1S1PR3
SCHEMBL11727340 0.82 L3MBTL1 (0.72) PLA2G4BFFAR1NR1H4S1PR1S1PR3
SCHEMBL7502356 0.82 PLA2G4B (0.66) PLA2G4BFFAR1NR1H4S1PR1S1PR3
SCHEMBL9044748 0.82 PLA2G4B (0.66) PLA2G4BFFAR1NR1H4S1PR1S1PR3

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
WO-2007092190-A2 METHODS AND COMPOSITIONS FOR MODULATING SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR ACTIVITY PRAECIS PHARMACEUTICALS, INC. (US) 2007-08-16 WO 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 PLA2G4B 57/4885FFAR1 30/4885NR1H4 589/4885
US-20060223866-A1 Methods and compositions for modulating sphingosine-1-phosphate (S1P) receptor activity S1PR1, S1PR2, S1PR3 PLA2G4B 57/4885FFAR1 30/4885NR1H4 589/4885
US-20060135786-A1 Methods and compositions for modulating sphingosine-1-phosphate (S1P) receptor activity S1PR1, S1PR2, S1PR3 PLA2G4B 57/4885FFAR1 30/4885NR1H4 589/4885

“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.