SCHEMBL948620

SCHEMBL948620

Cc1cccc(CCOc2cccc(CNCCC(=O)OC(=O)C(F)(F)F)c2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.49
MAPK1 P28482 1/20 0.49
SIRT2 Q8IXJ6 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HPGD P15428 1/20 0.44
KCNH2 Q12809 5/20 0.43
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CD274 Q9NZQ7 1/20 0.40
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
ADRA1D P25100 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40
DRD3 P35462 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 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
SCHEMBL948002 0.93 KCNH2 (0.48) KDM4EMAPK1SIRT2HPGDKCNH2
SCHEMBL946582 0.92 KDM4E (0.44) KDM4EMAPK1SIRT2MEN1KMT2A
SCHEMBL947949 0.91 KDM4E (0.46) KDM4EMAPK1SIRT2HPGDKCNH2
SCHEMBL949481 0.90 BCHE (0.49) KDM4EMAPK1MEN1KMT2ACD274
SCHEMBL946088 0.87 PPARG (0.46) KDM4EMAPK1MEN1KMT2AKCNH2
SCHEMBL948651 0.87 CD274 (0.45) KDM4EMAPK1SIRT2MEN1KMT2A
SCHEMBL948856 0.87 KMT2A (0.49) KDM4ESIRT2MEN1KMT2AKCNH2
SCHEMBL947389 0.86 KCNH2 (0.47) SIRT2HPGDKCNH2DRD2DRD4
SCHEMBL946309 0.86 LTA4H (0.47) KDM4ESIRT2MEN1KMT2AHPGD
Trifluoroacetic Acid SCHEMBL948619 0.86 KDM4E (0.53) KDM4EMAPK1SIRT2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 1512/4885SIRT2 2528/4885
US-20070167425-A1 Compound capable of binding s1p receptor and pharmaceutical use thereof S1PR1, S1PR3, S1PR2 KDM4E 1286/4885MAPK1 1787/4885SIRT2 3048/4885
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.