SCHEMBL946989

SCHEMBL946989

O=C(O)C(CCO)NCCCc1ccc(OCCCc2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GGT1 P19440 1/20 0.58
S1PR1 P21453 5/20 0.57
S1PR3 Q99500 3/20 0.57
FFAR1 O14842 2/20 0.54
S1PR5 Q9H228 1/20 0.52
LTA4H P09960 2/20 0.50
EPHX2 P34913 1/20 0.50
DRD2 P14416 1/20 0.48
DRD4 P21917 1/20 0.48
DRD3 P35462 1/20 0.48
ITGB3 P05106 1/20 0.47
ITGA2B P08514 1/20 0.47
SIGMAR1 Q99720 2/20 0.47

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
SCHEMBL946990 1.00 GGT1 (0.58) GGT1S1PR1S1PR3FFAR1S1PR5
SCHEMBL948527 0.90 S1PR1 (0.60) GGT1S1PR1S1PR3FFAR1S1PR5
SCHEMBL948526 0.90 S1PR1 (0.60) GGT1S1PR1S1PR3FFAR1S1PR5
SCHEMBL949519 0.88 FFAR1 (0.60) GGT1S1PR1S1PR3FFAR1S1PR5
SCHEMBL949521 0.88 FFAR1 (0.60) GGT1S1PR1S1PR3FFAR1S1PR5
SCHEMBL950971 0.81 S1PR1 (0.61) S1PR1S1PR3FFAR1S1PR5LTA4H
SCHEMBL950970 0.81 S1PR1 (0.61) S1PR1S1PR3FFAR1S1PR5LTA4H
SCHEMBL947876 0.79 S1PR1 (0.58) S1PR1S1PR3FFAR1S1PR5LTA4H
SCHEMBL947875 0.79 S1PR1 (0.58) S1PR1S1PR3FFAR1S1PR5LTA4H
SCHEMBL14463874 0.78 LTA4H (0.77) S1PR1S1PR3FFAR1S1PR5LTA4H

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
EP-2883865-A1 Compound capable of binding S1P receptor and pharmaceutical use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2015-06-17 EP disclosed
US-20140288034-A1 COMPOUND CAPABLE OF BINDING S1P RECEPTOR AND PHARMACEUTICAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2014-09-25 US disclosed
US-8791159-B2 Compound capable of binding S1P receptor and pharmaceutical use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2014-07-29 US disclosed
US-20110020324-A1 COMPOUND CAPABLE OF BINDING S1P RECEPTOR AND PHARMACEUTICAL USE THEREOF ONO PHARMACEUTICAL CO., LTD (JP) 2011-01-27 US disclosed
US-7825109-B2 Compound capable of binding S1P receptor and pharmaceutical use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2010-11-02 US disclosed
US-20070167425-A1 Compound capable of binding s1p receptor and pharmaceutical use thereof ONO PHARMACEUTICAL CO., LTD (JP) 2007-07-19 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-20140288034-A1 COMPOUND CAPABLE OF BINDING S1P RECEPTOR AND PHARMACEUTICAL USE THEREOF S1PR1, S1PR2, S1PR3 GGT1 2384/4885S1PR1 1/4885S1PR3 3/4885
US-20070167425-A1 Compound capable of binding s1p receptor and pharmaceutical use thereof S1PR1, S1PR3, S1PR2 GGT1 2456/4885S1PR1 1/4885S1PR3 2/4885
US-20110020324-A1 COMPOUND CAPABLE OF BINDING S1P RECEPTOR AND PHARMACEUTICAL USE THEREOF S1PR1, S1PR3, S1PR2 GGT1 2456/4885S1PR1 1/4885S1PR3 2/4885

“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.