SCHEMBL947225

SCHEMBL947225

O=C(CCNCc1ccc(OCCOCc2ccccc2)cc1)OC(=O)C(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.50
DRD4 P21917 2/20 0.50
LMNA P02545 1/20 0.50
LTA4H P09960 3/20 0.49
KMT2A Q03164 1/20 0.48
MITF O75030 1/20 0.47
GAA P10253 1/20 0.47
BCHE P06276 3/20 0.44

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
SCHEMBL947304 0.95 KDM4E (0.49) KDM4EDRD4LTA4HKMT2AMITF
SCHEMBL947960 0.95 KDM4E (0.49) KDM4EDRD4LMNALTA4HKMT2A
SCHEMBL951048 0.94 KDM4E (0.48) KDM4EDRD4LTA4HKMT2AMITF
SCHEMBL950312 0.91 DRD4 (0.52) KDM4EDRD4LMNALTA4HKMT2A
SCHEMBL948969 0.90 BCHE (0.55) DRD4LTA4HKMT2ABCHE
SCHEMBL947408 0.89 S1PR1 (0.58) KDM4EDRD4LMNALTA4HKMT2A
SCHEMBL948410 0.89 BCHE (0.55) DRD4LTA4HKMT2ABCHE
SCHEMBL947946 0.88 LTA4H (0.52) KDM4EDRD4LTA4HKMT2AMITF
SCHEMBL949938 0.88 KDM4E (0.52) KDM4EDRD4LTA4HKMT2AMITF
SCHEMBL948280 0.87 S1PR1 (0.58) KDM4EDRD4LTA4HKMT2AMITF

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 2041/4885DRD4 1888/4885LMNA 2786/4885
US-20070167425-A1 Compound capable of binding s1p receptor and pharmaceutical use thereof S1PR1, S1PR3, S1PR2 KDM4E 1286/4885DRD4 1566/4885LMNA 3761/4885
US-20110020324-A1 COMPOUND CAPABLE OF BINDING S1P RECEPTOR AND PHARMACEUTICAL USE THEREOF S1PR1, S1PR3, S1PR2 KDM4E 1286/4885DRD4 1566/4885LMNA 3761/4885

“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.