SCHEMBL947871

SCHEMBL947871

CC(C)CCCOc1cccc(CNCCC(=O)OC(=O)C(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.43
MAPK1 P28482 1/20 0.43
ALDH1A1 P00352 3/20 0.42
GAA P10253 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HPGD P15428 1/20 0.42
KCNH2 Q12809 5/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GLS O94925 1/20 0.41
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41
DRD3 P35462 1/20 0.41
SCN8A Q9UQD0 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
SCHEMBL947621 0.91 KCNH2 (0.49) KDM4EALDH1A1GAAKCNH2
SCHEMBL946940 0.90 KCNH2 (0.44) KDM4EALDH1A1GAAHPGDKCNH2
SCHEMBL947422 0.89 CYP2D6 (0.48) KDM4EMAPK1ALDH1A1GAAMEN1
SCHEMBL946937 0.89 KDM4E (0.42) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL948329 0.88 CYP2D6 (0.49) KDM4EMAPK1ALDH1A1GAAMEN1
SCHEMBL947153 0.88 DRD4 (0.49) KDM4EMAPK1ALDH1A1GAAMEN1
SCHEMBL948234 0.88 KDM4E (0.44) KDM4EALDH1A1GAAKMT2AHPGD
SCHEMBL949074 0.87 CYP2D6 (0.50) KDM4EMAPK1ALDH1A1GAAMEN1
SCHEMBL951257 0.87 CYP2D6 (0.50) KDM4EMAPK1ALDH1A1GAAMEN1
SCHEMBL948051 0.87 CYP2D6 (0.50) KDM4EMAPK1ALDH1A1GAAMEN1

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 KDM4E 2041/4885MAPK1 1512/4885ALDH1A1 1768/4885
US-20070167425-A1 Compound capable of binding s1p receptor and pharmaceutical use thereof S1PR1, S1PR3, S1PR2 KDM4E 1286/4885MAPK1 1787/4885ALDH1A1 2079/4885
US-20110020324-A1 COMPOUND CAPABLE OF BINDING S1P RECEPTOR AND PHARMACEUTICAL USE THEREOF S1PR1, S1PR3, S1PR2 KDM4E 1286/4885MAPK1 1787/4885ALDH1A1 2079/4885

“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.