SCHEMBL947280

SCHEMBL947280

CC(C)(C)c1ccc(CCOc2ccc(CCCNCCC(=O)OC(=O)C(F)(F)F)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.49
MITF O75030 1/20 0.49
GAA P10253 1/20 0.49
S1PR1 P21453 4/20 0.49
S1PR3 Q99500 2/20 0.49
LMNA P02545 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
S1PR5 Q9H228 1/20 0.47
LTA4H P09960 4/20 0.45
KMT2A Q03164 5/20 0.45
GPR35 Q9HC97 1/20 0.44
MEN1 O00255 4/20 0.42
DRD2 P14416 1/20 0.42
DRD4 P21917 1/20 0.42
DRD3 P35462 1/20 0.42
ALDH1A1 P00352 4/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL948723 0.94 LMNA (0.50) KDM4EMITFGAAS1PR1S1PR3
SCHEMBL950790 0.91 KDM4E (0.45) KDM4EMITFGAAS1PR1S1PR3
SCHEMBL950265 0.90 DRD2 (0.55) S1PR1S1PR3S1PR5LTA4HKMT2A
SCHEMBL946313 0.89 S1PR1 (0.55) S1PR1S1PR3S1PR5LTA4HKMT2A
SCHEMBL947283 0.89 S1PR1 (0.64) S1PR1S1PR3S1PR5LTA4HKMT2A
SCHEMBL946815 0.88 S1PR1 (0.51) KDM4EMITFGAAS1PR1S1PR3
SCHEMBL947100 0.87 S1PR1 (0.56) S1PR1S1PR3LMNASMN1; SMN2S1PR5
SCHEMBL950387 0.86 S1PR1 (0.55) S1PR1S1PR3S1PR5LTA4HKMT2A
SCHEMBL947278 0.85 S1PR1 (0.55) S1PR1S1PR3S1PR5LTA4HDRD2
Trifluoroacetic Acid SCHEMBL947279 0.85 S1PR1 (0.63) KDM4EMITFGAAS1PR1S1PR3

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 2041/4885MITF 3598/4885GAA 4659/4885
US-20070167425-A1 Compound capable of binding s1p receptor and pharmaceutical use thereof S1PR1, S1PR3, S1PR2 KDM4E 1286/4885MITF 3823/4885GAA 4138/4885
US-20110020324-A1 COMPOUND CAPABLE OF BINDING S1P RECEPTOR AND PHARMACEUTICAL USE THEREOF S1PR1, S1PR3, S1PR2 KDM4E 1286/4885MITF 3823/4885GAA 4138/4885

“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.