SCHEMBL3278016

SCHEMBL3278016

COc1cc(OC[C@H](O)CO)ccc1-c1noc(-c2cc(C)nc(NCC(C)C)c2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.45
PRKCD Q05655 1/20 0.45
MINK1 Q8N4C8 1/20 0.45
S1PR1 P21453 12/20 0.45
S1PR3 Q99500 4/20 0.43
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
TP53 P04637 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
TSHR P16473 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL3279460 1.00 MAP4K4 (0.45) MAP4K4PRKCDMINK1S1PR1S1PR3
SCHEMBL3279468 0.82 MAP4K4 (0.45) MAP4K4PRKCDMINK1S1PR1S1PR3
SCHEMBL3278026 0.82 MAP4K4 (0.45) MAP4K4PRKCDMINK1S1PR1S1PR3
SCHEMBL3278044 0.82 MAP4K4 (0.45) MAP4K4PRKCDMINK1S1PR1S1PR3
SCHEMBL3276801 0.81 S1PR1 (0.49) MAP4K4PRKCDMINK1S1PR1S1PR3
SCHEMBL4443234 0.81 S1PR1 (0.49) MAP4K4PRKCDMINK1S1PR1S1PR3
SCHEMBL3275226 0.81 S1PR1 (0.49) MAP4K4PRKCDMINK1S1PR1S1PR3
SCHEMBL3277914 0.81 S1PR1 (0.49) MAP4K4PRKCDMINK1S1PR1S1PR3
SCHEMBL3277050 0.80 S1PR1 (0.61) S1PR1S1PR3
SCHEMBL3223867 0.80 S1PR1 (0.52) MAP4K4PRKCDMINK1S1PR1S1PR3

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
US-20100087417-A1 AMINO-PYRIDINE DERIVATIVES AS S1P1 /EDG1 RECEPTOR AGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2010-04-08 US claimed
EP-2125797-A1 AMINO- PYRIDINE DERIVATIVES AS S1P1 /EDG1 RECEPTOR AGONISTS Actelion Pharmaceuticals Ltd. (CH) 2009-12-02 EP claimed
WO-2008114157-A1 AMINO- PYRIDINE DERIVATIVES AS S1P1 /EDG1 RECEPTOR AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2008-09-25 WO claimed
US-8592460-B2 Amino-pyridine derivatives as S1P1 /EDG1 receptor agonists ACTELION PHARMACEUTICALS LTD. (CH) 2013-11-26 US disclosed
US-20100087417-A1 AMINO-PYRIDINE DERIVATIVES AS S1P1 /EDG1 RECEPTOR AGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2010-04-08 US disclosed
EP-2125797-A1 AMINO- PYRIDINE DERIVATIVES AS S1P1 /EDG1 RECEPTOR AGONISTS Actelion Pharmaceuticals Ltd. (CH) 2009-12-02 EP disclosed
WO-2008114157-A1 AMINO- PYRIDINE DERIVATIVES AS S1P1 /EDG1 RECEPTOR AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2008-09-25 WO 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 (1 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-20100087417-A1 AMINO-PYRIDINE DERIVATIVES AS S1P1 /EDG1 RECEPTOR AGONISTS S1PR1, S1PR3, S1PR4 MAP4K4 1589/4885PRKCD 2345/4885MINK1 1176/4885

“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.