SCHEMBL948586

SCHEMBL948586

CCCCOc1ccc(CNCCC(=O)OC(=O)C(F)(F)F)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 3/20 0.50
S1PR1 P21453 3/20 0.50
S1PR3 Q99500 3/20 0.50
LPAR2 Q9HBW0 2/20 0.50
LTA4H P09960 3/20 0.48
KDM4E B2RXH2 4/20 0.47
MITF O75030 1/20 0.47
GAA P10253 1/20 0.47
FAAH O00519 4/20 0.46
KMT2A Q03164 1/20 0.46
LMNA P02545 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
PDE4A P27815 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HIF1A Q16665 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
S1PR4 O95977 1/20 0.43

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
SCHEMBL948193 0.98 S1PR2 (0.54) S1PR2S1PR1S1PR3LPAR2LTA4H
SCHEMBL947986 0.97 S1PR1 (0.56) S1PR2S1PR1S1PR3LPAR2LTA4H
SCHEMBL946576 0.97 S1PR1 (0.56) S1PR2S1PR1S1PR3LPAR2LTA4H
SCHEMBL948073 0.97 S1PR1 (0.56) S1PR2S1PR1S1PR3LPAR2LTA4H
SCHEMBL947992 0.89 LTA4H (0.50) S1PR1S1PR3LTA4HKDM4EKMT2A
SCHEMBL949938 0.89 KDM4E (0.52) S1PR1S1PR3LTA4HKDM4EMITF
SCHEMBL948234 0.89 KDM4E (0.44) S1PR2S1PR1S1PR3LPAR2LTA4H
SCHEMBL948875 0.88 KMT2A (0.46) S1PR2S1PR1S1PR3LPAR2LTA4H
SCHEMBL950312 0.88 DRD4 (0.52) S1PR1S1PR3LTA4HKDM4EMITF
SCHEMBL947422 0.88 CYP2D6 (0.48) LTA4HKDM4EGAAKMT2ACYP2D6

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 9 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
CN-101407471-A Compound capable of binding S1P receptor and pharmaceutical use thereof ONO PHARMACEUTICAL CO (JP) 2009-04-15 CN disclosed
US-20070167425-A1 Compound capable of binding s1p receptor and pharmaceutical use thereof ONO PHARMACEUTICAL CO., LTD (JP) 2007-07-19 US disclosed
CN-1874991-A Compounds capable of binding to the S1P receptor and pharmaceutical uses thereof ONO PHARMACEUTICAL CO (JP) 2006-12-06 CN 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 S1PR2 2/4885S1PR1 1/4885S1PR3 3/4885
US-20070167425-A1 Compound capable of binding s1p receptor and pharmaceutical use thereof S1PR1, S1PR3, S1PR2 S1PR2 3/4885S1PR1 1/4885S1PR3 2/4885
US-20110020324-A1 COMPOUND CAPABLE OF BINDING S1P RECEPTOR AND PHARMACEUTICAL USE THEREOF S1PR1, S1PR3, S1PR2 S1PR2 3/4885S1PR1 1/4885S1PR3 2/4885

“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.