SCHEMBL496834

SCHEMBL496834

CCCCCCCCCCCCCCCCSC1CCC(C(O)(C[N+](C)(C)C)P(=O)(O)O)C1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FDPS P14324 11/20 0.33
GGPS1 O95749 7/20 0.33
SMPD1 P17405 2/20 0.30
LPAR1 Q92633 1/20 0.30
LPAR3 Q9UBY5 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
SCHEMBL496836 0.93 S1PR4 (0.32) FDPSGGPS1
Phosphoric Acid SCHEMBL11085351 0.71 S1PR1 (0.36) FDPSGGPS1LPAR1LPAR3
SCHEMBL8153101 0.69
SCHEMBL5346241 0.68 SMPD1 (0.37) FDPSSMPD1LPAR1LPAR3
SCHEMBL11085353 0.68 INPP5A (0.41) FDPSSMPD1LPAR1LPAR3
SCHEMBL8207495 0.67 FDPS (0.45) FDPSGGPS1SMPD1LPAR1LPAR3
SCHEMBL8149004 0.67
SCHEMBL8154749 0.67 FDPS (0.37) FDPS
SCHEMBL8140433 0.67 FDPS (0.37) FDPS
Phosphoric Acid SCHEMBL11084348 0.66 S1PR4 (0.39) FDPSLPAR3

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 19 patents. 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
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-20070105811-A1 Lipid analogs for inhibiting the activity of hepatitis B antigen WAKE FOREST UNIVERSITY 2007-05-10 US disclosed
US-20070105812-A1 Lipid analogs for inhibiting HIV-1 activity WAKE FOREST UNIVERSITY 2007-05-10 US disclosed
US-20070099870-A1 Lipid analogs for combating tumors WAKE FOREST UNIVERSITY 2007-05-03 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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 FDPS 288/4885GGPS1 114/4885SMPD1 10/4885
US-20070105811-A1 Lipid analogs for inhibiting the activity of hepatitis B antigen LIPC, APOB, PNLIP FDPS 515/4885GGPS1 269/4885SMPD1 19/4885
US-20040259845-A1 Lipid analogs for treating viral infections SGMS1, PHOSPHO1, SGMS2 FDPS 236/4885GGPS1 104/4885SMPD1 12/4885
US-20050080050-A1 Lipid analogs for treating viral infections SGMS1, PHOSPHO1, SGMS2 FDPS 236/4885GGPS1 104/4885SMPD1 12/4885
US-20080293667-A1 Lipid analogs for combating tumors SGMS1, PNLIP, SGMS2 FDPS 330/4885GGPS1 193/4885SMPD1 10/4885
US-20070099870-A1 Lipid analogs for combating tumors SGMS1, PNLIP, SGMS2 FDPS 330/4885GGPS1 193/4885SMPD1 10/4885

“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.