SCHEMBL3280060

SCHEMBL3280060

CCN(CC)c1cc(-c2nc(-c3ccc(CC(=O)O)cc3)no2)cc(C)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 5/20 0.47
S1PR3 Q99500 3/20 0.47
S1PR5 Q9H228 3/20 0.43
KMT2A Q03164 3/20 0.41
HSD17B10 Q99714 2/20 0.41
MEN1 O00255 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
MAPT P10636 3/20 0.40
TP53 P04637 2/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
POLB P06746 1/20 0.40
TPH1 P17752 6/20 0.39
S1PR4 O95977 2/20 0.39
HDAC4 P56524 1/20 0.39

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
SCHEMBL3277047 0.88 S1PR1 (0.51) S1PR1S1PR3POLB
SCHEMBL3282469 0.86 S1PR1 (0.53) S1PR1S1PR3MAPTTP53NPC1
SCHEMBL13384705 0.86 RAB9A (0.54) S1PR1S1PR3KMT2AHSD17B10MEN1
SCHEMBL3281197 0.85 S1PR1 (0.44) S1PR1S1PR3S1PR5KMT2AMEN1
SCHEMBL3277417 0.84 S1PR1 (0.55) S1PR1S1PR3S1PR5MAPTTP53
SCHEMBL13384700 0.84 NPC1 (0.51) S1PR1S1PR3KMT2AMEN1MAPT
SCHEMBL3275729 0.82 S1PR1 (0.44) S1PR1S1PR3S1PR5MAPTTP53
SCHEMBL3086037 0.82 S1PR1 (0.41) S1PR1S1PR3S1PR5KMT2AHSD17B10
SCHEMBL3276319 0.79 S1PR1 (0.44) S1PR1S1PR3S1PR5MAPTTP53
SCHEMBL3279577 0.79 S1PR1 (0.45) S1PR1S1PR3S1PR5KMT2AHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2125797-B1 AMINO- PYRIDINE DERIVATIVES AS S1P1 /EDG1 RECEPTOR AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2014-01-15 EP disclosed
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 S1PR1 1/4885S1PR3 2/4885S1PR5 4/4885

“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.