SCHEMBL946813

SCHEMBL946813

Cc1ccccc1CCOc1cccc(CCCNCCC(=O)OC(=O)C(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.43
KCNH2 Q12809 5/20 0.42
SIRT2 Q8IXJ6 1/20 0.42
S1PR1 P21453 4/20 0.42
S1PR3 Q99500 2/20 0.42
DRD2 P14416 2/20 0.41
DRD4 P21917 2/20 0.41
DRD3 P35462 2/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
S1PR5 Q9H228 1/20 0.41
CYP2D6 P10635 2/20 0.41
POLB P06746 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL947520 0.94 KCNH2 (0.46) LTA4HKCNH2SIRT2CYP2D6
SCHEMBL948651 0.91 CD274 (0.45) LTA4HKCNH2SIRT2DRD2DRD4
SCHEMBL3540301 0.90 S1PR1 (0.52) LTA4HS1PR1S1PR3DRD2DRD4
SCHEMBL947963 0.89 DRD2 (0.52) LTA4HKCNH2S1PR1S1PR3DRD2
SCHEMBL947949 0.88 KDM4E (0.46) LTA4HKCNH2SIRT2S1PR1S1PR3
SCHEMBL949627 0.88 S1PR1 (0.56) LTA4HKCNH2S1PR1S1PR3DRD2
SCHEMBL948866 0.88 DRD2 (0.53) LTA4HKCNH2S1PR1S1PR3DRD2
SCHEMBL947482 0.87 DRD2 (0.52) LTA4HKCNH2SIRT2S1PR1S1PR3
Trifluoroacetic Acid SCHEMBL946811 0.87 S1PR1 (0.53) LTA4HKCNH2SIRT2S1PR1S1PR3
SCHEMBL948010 0.87 S1PR1 (0.56) LTA4HKCNH2S1PR1S1PR3DRD2

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 LTA4H 427/4885KCNH2 1238/4885SIRT2 2528/4885
US-20070167425-A1 Compound capable of binding s1p receptor and pharmaceutical use thereof S1PR1, S1PR3, S1PR2 LTA4H 697/4885KCNH2 1903/4885SIRT2 3048/4885
US-20110020324-A1 COMPOUND CAPABLE OF BINDING S1P RECEPTOR AND PHARMACEUTICAL USE THEREOF S1PR1, S1PR3, S1PR2 LTA4H 697/4885KCNH2 1903/4885SIRT2 3048/4885

“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.