SCHEMBL737339

SCHEMBL737339

C[N+](C)(C)CC(N)(O)P(=O)(O)O

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FDPS P14324 13/20 0.40
LMNA P02545 2/20 0.36
PDE3A Q14432 2/20 0.34
ADRB3 P13945 1/20 0.34
PDE4D Q08499 1/20 0.34
SMPD1 P17405 2/20 0.33
BBOX1 O75936 2/20 0.33
GRM4 Q14833 1/20 0.33
GGPS1 O95749 2/20 0.31

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
SCHEMBL5494372 0.80 LMNA (0.39) FDPSLMNAPDE3AADRB3PDE4D
SCHEMBL483640 0.75 FDPS (0.48) FDPSLMNAPDE3AADRB3PDE4D
SCHEMBL23038652 0.73 LMNA (0.43) FDPSLMNAPDE3AADRB3PDE4D
SCHEMBL15778355 0.71 LMNA (0.36) FDPSLMNAPDE3AADRB3PDE4D
SCHEMBL2553124 0.71 PGK1 (0.39) FDPSLMNABBOX1GGPS1
SCHEMBL192295 0.70 FDPS (0.38) FDPSLMNABBOX1GGPS1
SCHEMBL1692406 0.68 FDPS (0.52) FDPSPDE3ASMPD1GGPS1
SCHEMBL23001089 0.68 FDPS (0.45) FDPSSMPD1BBOX1GGPS1
SCHEMBL23001100 0.68 FDPS (0.45) FDPSSMPD1BBOX1GGPS1
Hydrochloric Acid SCHEMBL17143219 0.68 FDPS (0.37) FDPSLMNABBOX1GGPS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8138200-B2 Compositions and methods for double-targeting virus infections and targeting cancer cells WAKE FOREST UNIVERSITY (US) 2012-03-20 US disclosed
US-20100184718-A1 Compositions and Methods for Double-Targeting Virus Infections and Targeting Cancer Cells WAKE FOREST UNIVERSITY 2010-07-22 US disclosed
US-7638528-B2 Compositions and methods for targeting cancer cells WAKE FOREST UNIVERSITY SCHOOL OF MEDICINE (US) 2009-12-29 US disclosed
US-7309696-B2 Compositions and methods for targeting cancer cells WAKE FOREST UNIVERSITY (US) 2007-12-18 US disclosed
US-20060264397-A1 Compositions and methods for targeting cancer cells WAKE FOREST UNIVERSITY SCHOOL OF MEDICINE 2006-11-23 US disclosed
US-7026469-B2 Compositions and methods of double-targeting virus infections and cancer cells WAKE FOREST UNIVERSITY SCHOOL OF MEDICINE (US) 2006-04-11 US disclosed
EP-1389970-A4 COMPOSITIONS AND METHODS OF DOUBLE-TARGETING VIRUS INFECTIONS AND CANCER CELLS UNIV WAKE FOREST (US) 2005-07-06 EP disclosed
US-20040161398-A1 Compositions and methods for targeting cancer cells UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL 2004-08-19 US disclosed
EP-1389970-A2 COMPOSITIONS AND METHODS OF DOUBLE-TARGETING VIRUS INFECTIONS AND CANCER CELLS WAKE FOREST UNIVERSITY (US) 2004-02-25 EP disclosed
US-6670341-B1 Phosphocholine moiety covalently conjugated with one or more antiviral agents (e.g. nucleoside analogue, protease inhibitor, etc.) to a lipid backbone WAKE FOREST UNIVERSITY HEALTH SCIENCES 2003-12-30 US disclosed
WO-2002087465-A2 COMPOSITIONS AND METHODS OF DOUBLE-TARGETING VIRUS INFECTIONS AND CANCER CELLS WAKE FOREST UNIVERSITY (US) 2002-11-07 WO disclosed
EP-1228080-A2 COMPOSITIONS AND METHODS FOR DOUBLE-TARGETING VIRUS INFECTIONS AND TARGETING CANCER CELLS WAKE FOREST UNIVERSITY (US) 2002-08-07 EP disclosed
US-20020082242-A1 Compositions and methods of double-targeting virus infections and cancer cells WAKE FOREST UNIVERSITY SCHOOL OF MEDICINE 2002-06-27 US disclosed
WO-2001034614-A2 COMPOSITIONS AND METHODS FOR DOUBLE-TARGETING VIRUS INFECTIONS AND TARGETING CANCER CELLS WAKE FOREST UNIVERSITY (US) 2001-05-17 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-20040161398-A1 Compositions and methods for targeting cancer cells PHOSPHO1, SGMS1, LPCAT1 FDPS 2125/4885LMNA 857/4885PDE3A 2485/4885
US-20060264397-A1 Compositions and methods for targeting cancer cells PHOSPHO1, SGMS1, LPCAT1 FDPS 2125/4885LMNA 857/4885PDE3A 2485/4885
US-20020082242-A1 Compositions and methods of double-targeting virus infections and cancer cells PHOSPHO1, PIGS, SMPD1 FDPS 1483/4885LMNA 870/4885PDE3A 2653/4885
US-20100184718-A1 Compositions and Methods for Double-Targeting Virus Infections and Targeting Cancer Cells PHOSPHO1, PIGS, SMPD1 FDPS 2011/4885LMNA 734/4885PDE3A 2922/4885

“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.