SCHEMBL948969

SCHEMBL948969

O=C(CCNCc1ccc(OCc2ccccc2)cc1)OC(=O)C(F)(F)F

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BCHE P06276 7/20 0.55
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
DRD4 P21917 1/20 0.49
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48
LTA4H P09960 1/20 0.48

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
SCHEMBL948410 0.94 BCHE (0.55) BCHEMEN1KMT2ADRD4CA12
SCHEMBL947225 0.90 KDM4E (0.50) BCHEKMT2ADRD4LTA4H
SCHEMBL947165 0.90 FFAR1 (0.54) BCHE
SCHEMBL949364 0.90 LMNA (0.54) BCHEMEN1KMT2A
SCHEMBL950761 0.90 BCHE (0.54) BCHEMEN1KMT2ACA12CA1
SCHEMBL950312 0.89 DRD4 (0.52) KMT2ADRD4LTA4H
SCHEMBL947960 0.89 KDM4E (0.49) BCHEKMT2ADRD4LTA4H
SCHEMBL947304 0.89 KDM4E (0.49) BCHEKMT2ADRD4LTA4H
SCHEMBL947946 0.89 LTA4H (0.52) BCHEMEN1KMT2ADRD4LTA4H
SCHEMBL946914 0.89 BCHE (0.57) BCHEDRD4

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 2952/4885MEN1 458/4885KMT2A 2683/4885
US-20070167425-A1 Compound capable of binding s1p receptor and pharmaceutical use thereof S1PR1, S1PR3, S1PR2 BCHE 3117/4885MEN1 435/4885KMT2A 2637/4885
US-20110020324-A1 COMPOUND CAPABLE OF BINDING S1P RECEPTOR AND PHARMACEUTICAL USE THEREOF S1PR1, S1PR3, S1PR2 BCHE 3117/4885MEN1 435/4885KMT2A 2637/4885

“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.