SCHEMBL948856

SCHEMBL948856

CC(C)(C)c1ccc(CCOc2cccc(CNCCC(=O)OC(=O)C(F)(F)F)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.49
KDM4E B2RXH2 3/20 0.48
MITF O75030 1/20 0.48
GAA P10253 1/20 0.48
MEN1 O00255 1/20 0.43
SMN1; SMN2 Q16637 2/20 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
LMNA P02545 1/20 0.41
BCHE P06276 3/20 0.41
KCNH2 Q12809 2/20 0.40
FFAR1 O14842 1/20 0.40
MAPT P10636 1/20 0.40
SIRT2 Q8IXJ6 1/20 0.40
NPC1 O15118 1/20 0.40
POLB P06746 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
SCHEMBL950346 0.93 KCNH2 (0.46) KMT2AKDM4EMITFGAAMEN1
SCHEMBL950790 0.91 KDM4E (0.45) KMT2AKDM4EMITFGAASMN1; SMN2
SCHEMBL946582 0.90 KDM4E (0.44) KMT2AKDM4EMEN1SMN1; SMN2DRD2
SCHEMBL949481 0.90 BCHE (0.49) KMT2AKDM4EMEN1DRD2DRD4
Trifluoroacetic Acid SCHEMBL948855 0.87 KMT2A (0.53) KMT2AKDM4EMITFGAAMEN1
SCHEMBL948620 0.87 KDM4E (0.49) KMT2AKDM4EMEN1SMN1; SMN2DRD2
SCHEMBL946988 0.86 FFAR1 (0.56) KDM4ESMN1; SMN2BCHEFFAR1
SCHEMBL946088 0.86 PPARG (0.46) KMT2AKDM4EMEN1SMN1; SMN2DRD2
SCHEMBL950825 0.85 BCHE (0.52) KMT2AKDM4EMEN1DRD2DRD4
SCHEMBL15890968 0.85 KMT2A (0.56) KMT2AKDM4EMITFGAADRD2

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 KMT2A 2683/4885KDM4E 2041/4885MITF 3598/4885
US-20070167425-A1 Compound capable of binding s1p receptor and pharmaceutical use thereof S1PR1, S1PR3, S1PR2 KMT2A 2637/4885KDM4E 1286/4885MITF 3823/4885
US-20110020324-A1 COMPOUND CAPABLE OF BINDING S1P RECEPTOR AND PHARMACEUTICAL USE THEREOF S1PR1, S1PR3, S1PR2 KMT2A 2637/4885KDM4E 1286/4885MITF 3823/4885

“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.