SCHEMBL2011700

SCHEMBL2011700

C=C(I)CCCCOc1ccc(CCC(N)(CO)COP(=O)(O)O)cc1

nearest known ligand 0.69

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 20/20 0.69
S1PR3 Q99500 18/20 0.60
S1PR4 O95977 3/20 0.57
S1PR5 Q9H228 3/20 0.57
S1PR2 O95136 2/20 0.57

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
SCHEMBL2008197 0.87 S1PR1 (0.48) S1PR1S1PR3S1PR4S1PR5
Hydrochloric Acid SCHEMBL12610226 0.85 S1PR1 (0.47) S1PR1S1PR3S1PR4S1PR5
SCHEMBL12799739 0.84 S1PR1 (0.70) S1PR1S1PR3S1PR4S1PR5S1PR2
SCHEMBL1497854 0.84 S1PR1 (0.81) S1PR1S1PR3S1PR4S1PR5S1PR2
SCHEMBL1497928 0.84 S1PR1 (0.81) S1PR1S1PR3S1PR4S1PR5S1PR2
SCHEMBL688479 0.84 S1PR1 (0.76) S1PR1S1PR3S1PR4S1PR5S1PR2
SCHEMBL4330895 0.83 S1PR1 (0.72) S1PR1S1PR3S1PR4S1PR5S1PR2
SCHEMBL12631107 0.82 S1PR1 (0.68) S1PR1S1PR3S1PR4S1PR5S1PR2
SCHEMBL12631492 0.82 S1PR1 (0.68) S1PR1S1PR3S1PR4S1PR5S1PR2
SCHEMBL13576869 0.82 S1PR1 (0.77) S1PR1S1PR3S1PR4S1PR5S1PR2

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-2509938-A1 FTY720 HALOGENATED DERIVATIVES Novartis AG (CH) 2012-10-17 EP disclosed
US-20120244071-A1 FTY720 HALOGENATED DERIVATIVES NOVARTIS AG (CH) 2012-09-27 US disclosed
US-20120244071-A1 FTY720 HALOGENATED DERIVATIVES NOVARTIS AG (CH) 2012-09-27 US disclosed
WO-2011070066-A1 FTY720 HALOGENATED DERIVATIVES NOVARTIS AG (CH) 2011-06-16 WO disclosed
WO-2011070066-A1 FTY720 HALOGENATED DERIVATIVES NOVARTIS AG (CH) 2011-06-16 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-20120244071-A1 FTY720 HALOGENATED DERIVATIVES S1PR1, S1PR3, S1PR2 S1PR1 1/4885S1PR3 2/4885S1PR4 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.