SCHEMBL949974

SCHEMBL949974

O=C(CCNCCc1cccc(OCc2ccccc2)c1)OC(=O)C(F)(F)F

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.55
BCHE P06276 7/20 0.53
CYP4F2 P78329 1/20 0.48
CYP4A11 Q02928 1/20 0.48
FFAR1 O14842 1/20 0.47
CACNA1B Q00975 1/20 0.44
PDK1 Q15118 1/20 0.44
PDK2 Q15119 1/20 0.44
PDK3 Q15120 1/20 0.44
PDK4 Q16654 1/20 0.44
NR4A2 P43354 1/20 0.44
KCNH2 Q12809 1/20 0.44
SMPD1 P17405 1/20 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
SCHEMBL946823 0.94 FFAR1 (0.50) CYP2D6BCHECYP4F2CYP4A11FFAR1
SCHEMBL950038 0.94 BCHE (0.55) CYP2D6BCHECYP4F2CYP4A11FFAR1
SCHEMBL947834 0.92 FFAR1 (0.56) CYP2D6BCHEFFAR1
SCHEMBL946935 0.92 CYP2D6 (0.47) CYP2D6BCHEFFAR1NR4A2SMPD1
SCHEMBL947190 0.91 GAA (0.50) CYP2D6KCNH2
SCHEMBL949797 0.90 GAA (0.49) CYP2D6BCHEFFAR1KCNH2
SCHEMBL946914 0.90 BCHE (0.57) BCHEFFAR1
SCHEMBL949644 0.90 KCNH2 (0.46) CYP2D6BCHEKCNH2
SCHEMBL946377 0.90 KCNH2 (0.47) CYP2D6KCNH2
SCHEMBL946476 0.89 S1PR1 (0.50) CYP2D6KCNH2

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 8 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
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 CYP2D6 1819/4885BCHE 2952/4885CYP4F2 1176/4885
US-20070167425-A1 Compound capable of binding s1p receptor and pharmaceutical use thereof S1PR1, S1PR3, S1PR2 CYP2D6 594/4885BCHE 3117/4885CYP4F2 928/4885
US-20110020324-A1 COMPOUND CAPABLE OF BINDING S1P RECEPTOR AND PHARMACEUTICAL USE THEREOF S1PR1, S1PR3, S1PR2 CYP2D6 594/4885BCHE 3117/4885CYP4F2 928/4885

“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.