SCHEMBL951224

SCHEMBL951224

O=C(CCNCCCc1cccc(OCc2cccc(Oc3ccccc3)c2)c1)OC(=O)C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 6/20 0.48
FFAR4 Q5NUL3 2/20 0.48
BCHE P06276 1/20 0.48
FDFT1 P37268 3/20 0.45
LTA4H P09960 2/20 0.43
PLA2G2A P14555 2/20 0.43
CYP2D6 P10635 1/20 0.43
S1PR1 P21453 2/20 0.42
S1PR3 Q99500 1/20 0.42
MGLL Q99685 1/20 0.41

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
SCHEMBL948244 0.94 FFAR1 (0.57) FFAR1FFAR4BCHELTA4HS1PR1
SCHEMBL946823 0.94 FFAR1 (0.50) FFAR1FFAR4BCHEFDFT1LTA4H
SCHEMBL950038 0.94 BCHE (0.55) FFAR1BCHECYP2D6S1PR1S1PR3
SCHEMBL947796 0.89 BCHE (0.50) FFAR1FFAR4BCHELTA4HPLA2G2A
SCHEMBL946545 0.89 S1PR1 (0.58) FFAR1FFAR4LTA4HS1PR1S1PR3
SCHEMBL946350 0.89 FFAR1 (0.59) FFAR1FFAR4BCHE
SCHEMBL949627 0.88 S1PR1 (0.56) BCHELTA4HS1PR1S1PR3
SCHEMBL948866 0.88 DRD2 (0.53) BCHELTA4HS1PR1S1PR3
SCHEMBL949974 0.88 CYP2D6 (0.55) FFAR1BCHECYP2D6
Trifluoroacetic Acid SCHEMBL951223 0.87 FFAR1 (0.59) FFAR1FFAR4BCHEFDFT1LTA4H

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

“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.