SCHEMBL946582

SCHEMBL946582

Cc1ccc(CCOc2cccc(CNCCC(=O)OC(=O)C(F)(F)F)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.44
MAPK1 P28482 1/20 0.44
SIRT2 Q8IXJ6 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
BCHE P06276 3/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HPGD P15428 1/20 0.41
FFAR1 O14842 1/20 0.41
SLC2A1 P11166 1/20 0.41
DRD2 P14416 2/20 0.41
DRD4 P21917 2/20 0.41
DRD3 P35462 2/20 0.41
KCNH2 Q12809 2/20 0.41
POLB P06746 1/20 0.40
CD274 Q9NZQ7 1/20 0.40
ADRA1D P25100 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 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
SCHEMBL948620 0.92 KDM4E (0.49) KDM4EMAPK1SIRT2SMN1; SMN2MEN1
SCHEMBL947389 0.92 KCNH2 (0.47) SIRT2HPGDDRD2DRD4DRD3
SCHEMBL949481 0.92 BCHE (0.49) KDM4EMAPK1BCHEMEN1KMT2A
SCHEMBL948856 0.90 KMT2A (0.49) KDM4ESIRT2SMN1; SMN2BCHEMEN1
SCHEMBL947482 0.90 DRD2 (0.52) KDM4ESIRT2HPGDSLC2A1DRD2
SCHEMBL946988 0.88 FFAR1 (0.56) KDM4ESMN1; SMN2BCHEFFAR1
SCHEMBL946088 0.87 PPARG (0.46) KDM4EMAPK1SMN1; SMN2BCHEMEN1
SCHEMBL950825 0.87 BCHE (0.52) KDM4EMAPK1BCHEMEN1KMT2A
SCHEMBL948651 0.87 CD274 (0.45) KDM4EMAPK1SIRT2SMN1; SMN2BCHE
SCHEMBL949968 0.86 BCHE (0.51) KDM4EMAPK1BCHEDRD2DRD4

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8791159-B2 Compound capable of binding S1P receptor and pharmaceutical use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2014-07-29 US claimed
EP-2883865-A1 Compound capable of binding S1P receptor and pharmaceutical use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2015-06-17 EP 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
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 (1 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-20110020324-A1 COMPOUND CAPABLE OF BINDING S1P RECEPTOR AND PHARMACEUTICAL USE THEREOF S1PR1, S1PR3, S1PR2 KDM4E 1286/4885MAPK1 1787/4885SIRT2 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.