SCHEMBL496836

SCHEMBL496836

CCCCCCCCCCCCCCCCSC1CCCC(C(O)(C[N+](C)(C)C)P(=O)(O)O)C1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 2/20 0.32
S1PR1 P21453 2/20 0.32
S1PR3 Q99500 2/20 0.32
S1PR5 Q9H228 2/20 0.32
FDPS P14324 10/20 0.32
GGPS1 O95749 7/20 0.32
S1PR2 O95136 1/20 0.30

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
SCHEMBL496834 0.93 FDPS (0.33) FDPSGGPS1
SCHEMBL8149004 0.73
Phosphoric Acid SCHEMBL11090270 0.72 S1PR4 (0.39) S1PR4S1PR1S1PR3S1PR5FDPS
Phosphoric Acid SCHEMBL11084348 0.72 S1PR4 (0.39) S1PR4S1PR1S1PR3S1PR5FDPS
SCHEMBL8154749 0.71 FDPS (0.37) FDPS
SCHEMBL8140433 0.71 FDPS (0.37) FDPS
SCHEMBL11084352 0.69 S1PR4 (0.36) S1PR4S1PR1S1PR3S1PR5FDPS
SCHEMBL11289177 0.69 S1PR4 (0.36) S1PR4S1PR1S1PR3S1PR5FDPS
SCHEMBL11084350 0.69 S1PR4 (0.36) S1PR4S1PR1S1PR3S1PR5FDPS
SCHEMBL11090273 0.69 S1PR4 (0.36) S1PR4S1PR1S1PR3S1PR5FDPS

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8106032-B2 Lipid analogs for combating tumors WAKE FOREST UNIVERSITY (US) 2012-01-31 US claimed
US-20080293667-A1 Lipid analogs for combating tumors WAKE FOREST UNIVERSITY (US) 2008-11-27 US claimed
EP-0781138-A2 LIPID ANALOGS FOR TREATING VIRAL INFECTIONS WAKE FOREST UNIVERSITY (US) 1997-07-02 EP claimed
WO-1996006620-A2 LIPID ANALOGS FOR TREATING VIRAL INFECTIONS WAKE FOREST UNIVERSITY (US) 1996-03-07 WO claimed
US-8106032-B2 Lipid analogs for combating tumors WAKE FOREST UNIVERSITY (US) 2012-01-31 US disclosed
US-20080293667-A1 Lipid analogs for combating tumors WAKE FOREST UNIVERSITY (US) 2008-11-27 US disclosed
EP-0781138-B1 LIPID ANALOGS FOR TREATING VIRAL INFECTIONS UNIV WAKE FOREST (US) 2008-05-21 EP disclosed
US-7294621-B2 Lipid analogs for combating tumors WAKE FOREST UNIVERSITY (US) 2007-11-13 US disclosed
US-7294620-B2 Lipid analogs for inhibiting HIV-1 activity WAKE FOREST UNIVERSITY (US) 2007-11-13 US disclosed
US-7294619-B2 Lipid analogs for inhibiting the activity of hepatitis B antigen WAKE FOREST UNIVERSITY (US) 2007-11-13 US disclosed
EP-1852121-A2 Lipid analogs for treating viral infections WAKE FOREST UNIVERSITY (US) 2007-11-07 EP disclosed
US-20070105812-A1 Lipid analogs for inhibiting HIV-1 activity WAKE FOREST UNIVERSITY 2007-05-10 US disclosed
US-7141557-B2 Lipid analogs for treating viral infections WAKE FOREST UNIVERSITY (US) 2006-11-28 US disclosed
US-7135584-B2 Lipid analogs for treating viral infections WAKE FOREST UNIVERSITY (US) 2006-11-14 US disclosed
US-7129227-B1 Lipid analogs for treating viral infections WAKE FOREST UNIVERSITY (US) 2006-10-31 US disclosed
US-20050080050-A1 Lipid analogs for treating viral infections WAKE FOREST UNIVERSITY (US) 2005-04-14 US disclosed
US-20040259845-A1 Lipid analogs for treating viral infections WAKE FOREST UNIVERSITY 2004-12-23 US disclosed
US-5962437-A HEPATITIS, HERPES AND AIDA VIRUS WAKE FOREST UNIVERSITY (US) 1999-10-05 US disclosed
EP-0781138-A2 LIPID ANALOGS FOR TREATING VIRAL INFECTIONS WAKE FOREST UNIVERSITY (US) 1997-07-02 EP disclosed
WO-1996006620-A2 LIPID ANALOGS FOR TREATING VIRAL INFECTIONS WAKE FOREST UNIVERSITY (US) 1996-03-07 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 (4 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-20070105812-A1 Lipid analogs for inhibiting HIV-1 activity SGMS1, HDLBP, LIPC S1PR4 206/4885S1PR1 120/4885S1PR3 180/4885
US-20040259845-A1 Lipid analogs for treating viral infections SGMS1, PHOSPHO1, SGMS2 S1PR4 48/4885S1PR1 49/4885S1PR3 56/4885
US-20050080050-A1 Lipid analogs for treating viral infections SGMS1, PHOSPHO1, SGMS2 S1PR4 48/4885S1PR1 49/4885S1PR3 56/4885
US-20080293667-A1 Lipid analogs for combating tumors SGMS1, PNLIP, SGMS2 S1PR4 139/4885S1PR1 113/4885S1PR3 124/4885

“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.