SCHEMBL948526

SCHEMBL948526

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

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 5/20 0.60
S1PR3 Q99500 3/20 0.60
FFAR1 O14842 2/20 0.57
GGT1 P19440 1/20 0.54
S1PR5 Q9H228 1/20 0.54
DRD2 P14416 1/20 0.50
DRD4 P21917 1/20 0.50
DRD3 P35462 1/20 0.50
LTA4H P09960 2/20 0.49
ITGB3 P05106 1/20 0.49
ITGA2B P08514 1/20 0.49
SIGMAR1 Q99720 2/20 0.49
EPHX2 P34913 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
SCHEMBL948527 1.00 S1PR1 (0.60) S1PR1S1PR3FFAR1GGT1S1PR5
SCHEMBL946990 0.90 GGT1 (0.58) S1PR1S1PR3FFAR1GGT1S1PR5
SCHEMBL946989 0.90 GGT1 (0.58) S1PR1S1PR3FFAR1GGT1S1PR5
SCHEMBL949521 0.90 FFAR1 (0.60) S1PR1S1PR3FFAR1GGT1S1PR5
SCHEMBL949519 0.90 FFAR1 (0.60) S1PR1S1PR3FFAR1GGT1S1PR5
SCHEMBL27507226 0.88 GGT1 (0.67) GGT1SIGMAR1EPHX2
SCHEMBL4560841 0.88 GGT1 (0.67) GGT1SIGMAR1EPHX2
SCHEMBL27507225 0.88 GGT1 (0.67) GGT1SIGMAR1EPHX2
Hydrochloric Acid SCHEMBL4561906 0.86 GGT1 (0.65) GGT1SIGMAR1EPHX2
SCHEMBL950971 0.83 S1PR1 (0.61) S1PR1S1PR3FFAR1S1PR5DRD2

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 7 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
EP-1661881-A2 COMPOUND CAPABLE OF BINDING S1P RECEPTOR AND PHARMACEUTICAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2006-05-31 EP 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 S1PR1 1/4885S1PR3 3/4885FFAR1 28/4885
US-20070167425-A1 Compound capable of binding s1p receptor and pharmaceutical use thereof S1PR1, S1PR3, S1PR2 S1PR1 1/4885S1PR3 2/4885FFAR1 37/4885
US-20110020324-A1 COMPOUND CAPABLE OF BINDING S1P RECEPTOR AND PHARMACEUTICAL USE THEREOF S1PR1, S1PR3, S1PR2 S1PR1 1/4885S1PR3 2/4885FFAR1 37/4885

“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.