SCHEMBL3277030

SCHEMBL3277030

COC(=O)C1CCCN1CC(O)C[O]

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.42
PEPD P12955 2/20 0.41
IDO1 P14902 1/20 0.41
POLB P06746 1/20 0.40
XPNPEP1 Q9NQW7 1/20 0.39
ALDH1A1 P00352 2/20 0.39
GAA P10253 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
FKBP1A P62942 2/20 0.38
ADRA1D P25100 1/20 0.37
ADRA1A P35348 1/20 0.37
ADRA1B P35368 1/20 0.37
MMP3 P08254 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TSHR P16473 1/20 0.34

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
SCHEMBL12156508 0.83 LTA4H (0.44) LTA4HPEPDIDO1POLBXPNPEP1
SCHEMBL1176224 0.81 ACE (0.40) LTA4HPEPD
SCHEMBL4681706 0.80 LTA4H (0.47) LTA4HPEPDPOLBXPNPEP1ALDH1A1
SCHEMBL10370406 0.78 LTA4H (0.51) LTA4HPEPDPOLBALDH1A1GAA
SCHEMBL25728389 0.77 LTA4H (0.47) LTA4HPEPDPOLBXPNPEP1ALDH1A1
SCHEMBL12677313 0.77 LTA4H (0.47) LTA4HPEPDPOLBALDH1A1GAA
SCHEMBL3315632 0.77 LTA4H (0.47) LTA4HPEPDPOLBALDH1A1GAA
SCHEMBL8977442 0.77 LTA4H (0.47) LTA4HPEPDPOLBALDH1A1GAA
SCHEMBL18735940 0.76 LTA4H (0.46) LTA4HPEPDPOLBXPNPEP1ALDH1A1
SCHEMBL21340469 0.75 LTA4H (0.40) LTA4HPEPDIDO1POLBXPNPEP1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 LTA4H 767/4885PEPD 2095/4885IDO1 151/4885

“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.