SCHEMBL950761

SCHEMBL950761

O=C(CCNCCc1ccc(OCc2ccccc2)cc1)OC(=O)C(F)(F)F

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BCHE P06276 4/20 0.54
FFAR1 O14842 2/20 0.52
FFAR4 Q5NUL3 1/20 0.52
LTA4H P09960 2/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
S1PR1 P21453 3/20 0.48
TAAR1 Q96RJ0 1/20 0.48
S1PR3 Q99500 1/20 0.48
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47

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
SCHEMBL947929 0.96 LTA4H (0.52) BCHEFFAR1FFAR4LTA4HMEN1
SCHEMBL948178 0.93 S1PR1 (0.58) BCHEFFAR1FFAR4LTA4HMEN1
SCHEMBL948568 0.91 LTA4H (0.56) FFAR1LTA4HMEN1KMT2AS1PR1
SCHEMBL947834 0.90 FFAR1 (0.56) BCHEFFAR1LTA4HS1PR1TAAR1
SCHEMBL946350 0.90 FFAR1 (0.59) BCHEFFAR1FFAR4
SCHEMBL949695 0.90 S1PR1 (0.62) FFAR1LTA4HMEN1KMT2AS1PR1
SCHEMBL947311 0.90 BCHE (0.51) BCHEMEN1KMT2ATAAR1
SCHEMBL948969 0.90 BCHE (0.55) BCHELTA4HMEN1KMT2ACA12
SCHEMBL3540441 0.90 LTA4H (0.54) LTA4HMEN1KMT2AS1PR1TAAR1
SCHEMBL947285 0.90 S1PR1 (0.51) LTA4HMEN1KMT2AS1PR1TAAR1

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 BCHE 2952/4885FFAR1 28/4885FFAR4 191/4885
US-20070167425-A1 Compound capable of binding s1p receptor and pharmaceutical use thereof S1PR1, S1PR3, S1PR2 BCHE 3117/4885FFAR1 37/4885FFAR4 267/4885
US-20110020324-A1 COMPOUND CAPABLE OF BINDING S1P RECEPTOR AND PHARMACEUTICAL USE THEREOF S1PR1, S1PR3, S1PR2 BCHE 3117/4885FFAR1 37/4885FFAR4 267/4885

“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.