SCHEMBL949499

SCHEMBL949499

COc1cc(CCCOc2ccc(CCCNCCC(=O)OC(=O)C(F)(F)F)cc2)cc(OC)c1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 4/20 0.48
S1PR3 Q99500 2/20 0.48
KMT2A Q03164 5/20 0.46
MEN1 O00255 3/20 0.46
S1PR5 Q9H228 1/20 0.44
ADRB2 P07550 1/20 0.44
LTA4H P09960 4/20 0.43
MAPT P10636 3/20 0.42
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TUBB4A P04350 1/20 0.41
TUBB P07437 1/20 0.41
TUBA3C P0DPH7 1/20 0.41
TUBA1B P68363 1/20 0.41
TUBA4A P68366 1/20 0.41
TUBB4B P68371 1/20 0.41
TUBB3 Q13509 1/20 0.41
TUBB2A Q13885 1/20 0.41
TUBB8 Q3ZCM7 1/20 0.41
TUBA3E Q6PEY2 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
SCHEMBL948088 0.91 ALDH1A1 (0.52) S1PR1S1PR3KMT2AMEN1S1PR5
SCHEMBL950387 0.89 S1PR1 (0.55) S1PR1S1PR3KMT2AMEN1S1PR5
Trifluoroacetic Acid SCHEMBL949497 0.87 S1PR1 (0.61) S1PR1S1PR3KMT2AMEN1S1PR5
SCHEMBL951106 0.84 S1PR1 (0.52) S1PR1S1PR3KMT2AMEN1S1PR5
SCHEMBL949454 0.84 S1PR1 (0.69) S1PR1S1PR3KMT2AMEN1S1PR5
SCHEMBL947100 0.84 S1PR1 (0.56) S1PR1S1PR3KMT2AMEN1S1PR5
SCHEMBL15890934 0.84 S1PR1 (0.69) S1PR1S1PR3KMT2AMEN1S1PR5
SCHEMBL948066 0.83 S1PR1 (0.55) S1PR1S1PR3KMT2AMEN1S1PR5
SCHEMBL946313 0.83 S1PR1 (0.55) S1PR1S1PR3KMT2AMEN1S1PR5
SCHEMBL948666 0.83 S1PR1 (0.55) S1PR1S1PR3KMT2AS1PR5LTA4H

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 6 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-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 (2 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-20070167425-A1 Compound capable of binding s1p receptor and pharmaceutical use thereof S1PR1, S1PR3, S1PR2 S1PR1 1/4885S1PR3 2/4885KMT2A 2637/4885
US-20110020324-A1 COMPOUND CAPABLE OF BINDING S1P RECEPTOR AND PHARMACEUTICAL USE THEREOF S1PR1, S1PR3, S1PR2 S1PR1 1/4885S1PR3 2/4885KMT2A 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.