SCHEMBL949519

SCHEMBL949519

O=C(O)C(Cc1ccccc1)NCCCc1ccc(OCCCc2ccccc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.60
S1PR1 P21453 4/20 0.60
S1PR3 Q99500 2/20 0.60
ITGB3 P05106 5/20 0.57
ITGA2B P08514 5/20 0.57
PPARG P37231 3/20 0.55
SIGMAR1 Q99720 2/20 0.55
HDAC8 Q9BY41 1/20 0.55
GGT1 P19440 1/20 0.54
S1PR5 Q9H228 1/20 0.54
PPARA Q07869 1/20 0.53

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
SCHEMBL949521 1.00 FFAR1 (0.60) FFAR1S1PR1S1PR3ITGB3ITGA2B
SCHEMBL948526 0.90 S1PR1 (0.60) FFAR1S1PR1S1PR3ITGB3ITGA2B
SCHEMBL948527 0.90 S1PR1 (0.60) FFAR1S1PR1S1PR3ITGB3ITGA2B
SCHEMBL18645284 0.88 GGT1 (0.67) SIGMAR1GGT1
SCHEMBL946989 0.88 GGT1 (0.58) FFAR1S1PR1S1PR3ITGB3ITGA2B
SCHEMBL946990 0.88 GGT1 (0.58) FFAR1S1PR1S1PR3ITGB3ITGA2B
SCHEMBL29224711 0.84 SIGMAR1 (0.66) SIGMAR1GGT1
SCHEMBL950971 0.83 S1PR1 (0.61) FFAR1S1PR1S1PR3SIGMAR1S1PR5
SCHEMBL950970 0.83 S1PR1 (0.61) FFAR1S1PR1S1PR3SIGMAR1S1PR5
SCHEMBL22916607 0.82 GGT1 (0.56) PPARGSIGMAR1HDAC8GGT1

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 FFAR1 28/4885S1PR1 1/4885S1PR3 3/4885
US-20070167425-A1 Compound capable of binding s1p receptor and pharmaceutical use thereof S1PR1, S1PR3, S1PR2 FFAR1 37/4885S1PR1 1/4885S1PR3 2/4885
US-20110020324-A1 COMPOUND CAPABLE OF BINDING S1P RECEPTOR AND PHARMACEUTICAL USE THEREOF S1PR1, S1PR3, S1PR2 FFAR1 37/4885S1PR1 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.