SCHEMBL948676

SCHEMBL948676

CCCC(CCC)COc1ccc(CCNCCC(=O)OC(=O)C(F)(F)F)cc1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
LTA4H P09960 2/20 0.39
ADRB2 P07550 4/20 0.38
ADRB1 P08588 4/20 0.38
ALDH1A1 P00352 1/20 0.38
ADRB3 P13945 3/20 0.37
ACACB O00763 1/20 0.36

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
SCHEMBL946012 0.94 S1PR1 (0.43) LTA4HADRB2ADRB1ALDH1A1ADRB3
SCHEMBL951121 0.91 LTA4H (0.38) KMT2ALTA4H
SCHEMBL949447 0.88 CYP2D6 (0.42)
SCHEMBL948322 0.87 ACACB (0.49) MEN1KMT2ALTA4HADRB2ADRB1
SCHEMBL947992 0.86 LTA4H (0.50) MEN1KMT2ALTA4HALDH1A1
Trifluoroacetic Acid SCHEMBL948675 0.85 LMNA (0.47) MEN1KMT2ALTA4H
SCHEMBL946370 0.84 LTA4H (0.48) MEN1KMT2ALTA4HALDH1A1
SCHEMBL949401 0.83 S1PR1 (0.47) MEN1KMT2ALTA4HALDH1A1
SCHEMBL947374 0.83 S1PR1 (0.47) MEN1KMT2ALTA4HALDH1A1
SCHEMBL947490 0.83 S1PR1 (0.47) MEN1KMT2ALTA4HALDH1A1

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 MEN1 458/4885KMT2A 2683/4885LTA4H 427/4885
US-20070167425-A1 Compound capable of binding s1p receptor and pharmaceutical use thereof S1PR1, S1PR3, S1PR2 MEN1 435/4885KMT2A 2637/4885LTA4H 697/4885
US-20110020324-A1 COMPOUND CAPABLE OF BINDING S1P RECEPTOR AND PHARMACEUTICAL USE THEREOF S1PR1, S1PR3, S1PR2 MEN1 435/4885KMT2A 2637/4885LTA4H 697/4885

“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.