SCHEMBL946823

SCHEMBL946823

O=C(CCNCCc1cccc(OCc2cccc(Oc3ccccc3)c2)c1)OC(=O)C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 8/20 0.50
FFAR4 Q5NUL3 2/20 0.50
CYP2D6 P10635 1/20 0.49
BCHE P06276 4/20 0.46
LTA4H P09960 2/20 0.44
PLA2G2A P14555 2/20 0.44
FDFT1 P37268 1/20 0.42
CYP4F2 P78329 1/20 0.42
CYP4A11 Q02928 1/20 0.42

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
SCHEMBL946350 0.94 FFAR1 (0.59) FFAR1FFAR4BCHE
SCHEMBL951224 0.94 FFAR1 (0.48) FFAR1FFAR4CYP2D6BCHELTA4H
SCHEMBL949974 0.94 CYP2D6 (0.55) FFAR1CYP2D6BCHECYP4F2CYP4A11
SCHEMBL947796 0.91 BCHE (0.50) FFAR1FFAR4BCHELTA4HPLA2G2A
SCHEMBL948244 0.89 FFAR1 (0.57) FFAR1FFAR4BCHELTA4H
SCHEMBL950038 0.88 BCHE (0.55) FFAR1CYP2D6BCHECYP4F2CYP4A11
SCHEMBL947190 0.88 GAA (0.50) CYP2D6LTA4H
SCHEMBL947165 0.87 FFAR1 (0.54) FFAR1FFAR4BCHE
SCHEMBL949797 0.87 GAA (0.49) FFAR1CYP2D6BCHELTA4H
Trifluoroacetic Acid SCHEMBL946822 0.87 FFAR1 (0.61) FFAR1FFAR4CYP2D6BCHE

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 FFAR1 28/4885FFAR4 191/4885CYP2D6 1819/4885
US-20070167425-A1 Compound capable of binding s1p receptor and pharmaceutical use thereof S1PR1, S1PR3, S1PR2 FFAR1 37/4885FFAR4 267/4885CYP2D6 594/4885
US-20110020324-A1 COMPOUND CAPABLE OF BINDING S1P RECEPTOR AND PHARMACEUTICAL USE THEREOF S1PR1, S1PR3, S1PR2 FFAR1 37/4885FFAR4 267/4885CYP2D6 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.