SCHEMBL3277644

SCHEMBL3277644

COC(=O)C1CCN(CC[O])C1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.51
BRD4 O60885 1/20 0.45
TP53 P04637 1/20 0.45
SMN1; SMN2 Q16637 4/20 0.44
GAA P10253 1/20 0.43
ALDH1A1 P00352 5/20 0.43
POLB P06746 1/20 0.40
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
HTT P42858 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL13146450 0.86 LTA4H (0.51) LTA4HBRD4TP53SMN1; SMN2GAA
SCHEMBL3283655 0.85 BRD4 (0.46) LTA4HBRD4TP53SMN1; SMN2GAA
SCHEMBL30804513 0.85 LTA4H (0.50) LTA4HBRD4TP53SMN1; SMN2GAA
SCHEMBL17915383 0.85 LTA4H (0.50) LTA4HBRD4TP53SMN1; SMN2GAA
SCHEMBL16418027 0.85 LTA4H (0.56) LTA4HBRD4TP53SMN1; SMN2GAA
SCHEMBL28982182 0.85 LTA4H (0.50) LTA4HBRD4TP53SMN1; SMN2GAA
SCHEMBL8518749 0.83 BCHE (0.50) LTA4HBRD4TP53SMN1; SMN2GAA
SCHEMBL23375191 0.82 SMN1; SMN2 (0.52) LTA4HTP53SMN1; SMN2GAAALDH1A1
SCHEMBL22675502 0.82 SMN1; SMN2 (0.52) LTA4HTP53SMN1; SMN2GAAALDH1A1
SCHEMBL16556615 0.82 SMN1; SMN2 (0.52) LTA4HTP53SMN1; SMN2GAAALDH1A1

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 767/4885BRD4 387/4885TP53 3804/4885

“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.