SCHEMBL947520

SCHEMBL947520

Cc1ccccc1CCOc1cccc(CCNCCC(=O)OC(=O)C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 7/20 0.46
SIRT2 Q8IXJ6 1/20 0.43
CYP2D6 P10635 8/20 0.42
LTA4H P09960 2/20 0.41
HPGD P15428 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
SCHEMBL946813 0.94 LTA4H (0.43) KCNH2SIRT2CYP2D6LTA4H
SCHEMBL948651 0.93 CD274 (0.45) KCNH2SIRT2LTA4H
SCHEMBL947394 0.89 LTA4H (0.47) LTA4H
SCHEMBL949797 0.88 GAA (0.49) KCNH2CYP2D6LTA4HHPGD
SCHEMBL948002 0.87 KCNH2 (0.48) KCNH2SIRT2CYP2D6HPGD
SCHEMBL947190 0.87 GAA (0.50) KCNH2CYP2D6LTA4H
SCHEMBL947389 0.87 KCNH2 (0.47) KCNH2SIRT2CYP2D6LTA4HHPGD
Trifluoroacetic Acid SCHEMBL947519 0.87 KCNH2 (0.49) KCNH2SIRT2CYP2D6LTA4HHPGD
SCHEMBL946476 0.85 S1PR1 (0.50) KCNH2CYP2D6HPGD
SCHEMBL947967 0.85 CYP2D6 (0.58) KCNH2CYP2D6LTA4H

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 KCNH2 1238/4885SIRT2 2528/4885CYP2D6 1819/4885
US-20070167425-A1 Compound capable of binding s1p receptor and pharmaceutical use thereof S1PR1, S1PR3, S1PR2 KCNH2 1903/4885SIRT2 3048/4885CYP2D6 594/4885
US-20110020324-A1 COMPOUND CAPABLE OF BINDING S1P RECEPTOR AND PHARMACEUTICAL USE THEREOF S1PR1, S1PR3, S1PR2 KCNH2 1903/4885SIRT2 3048/4885CYP2D6 594/4885

“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.