SCHEMBL951069

SCHEMBL951069

O=C(CCNCCc1ccc(OCCc2ccc3ccccc3c2)cc1)OC(=O)C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 5/20 0.46
S1PR1 P21453 4/20 0.44
S1PR3 Q99500 2/20 0.44
TAAR1 Q96RJ0 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
S1PR5 Q9H228 1/20 0.43
GAA P10253 2/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
FFAR1 O14842 1/20 0.42
ADRB1 P08588 1/20 0.40
ADRB3 P13945 1/20 0.40
KCNH2 Q12809 2/20 0.39
CYP2D6 P10635 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
CASR P41180 1/20 0.39
SLC6A3 Q01959 1/20 0.39

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
SCHEMBL950347 0.94 S1PR1 (0.53) LTA4HS1PR1S1PR3MEN1KMT2A
SCHEMBL950234 0.92 KCNH2 (0.45) LTA4HGAAFFAR1KCNH2CYP2D6
SCHEMBL948568 0.91 LTA4H (0.56) LTA4HS1PR1S1PR3TAAR1MEN1
SCHEMBL3540441 0.87 LTA4H (0.54) LTA4HS1PR1S1PR3TAAR1MEN1
SCHEMBL947929 0.87 LTA4H (0.52) LTA4HS1PR1S1PR3TAAR1MEN1
SCHEMBL948863 0.86 S1PR1 (0.46) LTA4HS1PR1S1PR3S1PR5GAA
SCHEMBL947382 0.86 S1PR1 (0.54) LTA4HS1PR1S1PR3TAAR1MEN1
SCHEMBL946309 0.86 LTA4H (0.47) LTA4HS1PR1S1PR3TAAR1MEN1
SCHEMBL947834 0.85 FFAR1 (0.56) LTA4HS1PR1S1PR3TAAR1GAA
SCHEMBL949797 0.85 GAA (0.49) LTA4HTAAR1MEN1KMT2AGAA

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 LTA4H 427/4885S1PR1 1/4885S1PR3 3/4885
US-20070167425-A1 Compound capable of binding s1p receptor and pharmaceutical use thereof S1PR1, S1PR3, S1PR2 LTA4H 697/4885S1PR1 1/4885S1PR3 2/4885
US-20110020324-A1 COMPOUND CAPABLE OF BINDING S1P RECEPTOR AND PHARMACEUTICAL USE THEREOF S1PR1, S1PR3, S1PR2 LTA4H 697/4885S1PR1 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.