SCHEMBL4326443

SCHEMBL4326443

CN(C)CCOP(=O)(O)OP(=O)(O)O

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MVD P53602 4/20 0.64
BTN3A1 O00481 3/20 0.53
GGPS1 O95749 4/20 0.50
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRM3 P20309 1/20 0.38
CHRNA4 P43681 1/20 0.38
FNTA P49354 2/20 0.37
FNTB P49356 1/20 0.37
PGGT1B P53609 1/20 0.37

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
SCHEMBL4657446 0.93 MVD (0.57) MVDBTN3A1GGPS1CHRM2CHRM4
SCHEMBL11952584 0.86 MVD (0.49) MVDBTN3A1GGPS1CHRM2CHRM4
SCHEMBL1642999 0.82 LPAR3 (0.46) MVDGGPS1CHRM2CHRM4CHRM5
SCHEMBL8232301 0.81 MVD (0.43) MVDBTN3A1GGPS1CHRM2CHRM4
SCHEMBL7531145 0.79 BTN3A1 (0.61) MVDBTN3A1GGPS1FNTAFNTB
SCHEMBL2628074 0.79 MVD (0.42) MVDBTN3A1GGPS1CHRM2CHRM4
SCHEMBL2471602 0.79 MVD (0.42) MVDBTN3A1GGPS1CHRM2CHRM4
SCHEMBL14750297 0.79 MVD (0.42) MVDBTN3A1GGPS1CHRM2CHRM4
SCHEMBL27703224 0.78 MVD (0.41) MVDBTN3A1GGPS1CHRM2CHRM4
Pyrophosphoric Acid SCHEMBL15103043 0.77 TDP1 (0.56) MVDBTN3A1GGPS1CHRM2CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020035058-A1 Isopentenyl pyrophosphate isomerase (IPI) and/or prenyl transferase inhibitors THE UNIVERSITY OF SHEFFIELD (GB) 2002-03-21 US claimed
EP-0952834-A2 ISOPENTENYL PYROPHOSPHATE ISOMERASE (IPI) AND/OR PRENYL TRANSFERASE INHIBITORS The University of Sheffield (GB) 1999-11-03 EP claimed
WO-1997043437-A2 ISOPENTENYL PYROPHOSPHATE ISOMERASE (IPI) AND/OR PRENYL TRANSFERASE INHIBITORS THE UNIVERSITY OF SHEFFIELD (GB) 1997-11-20 WO claimed
EP-3681504-B1 METHODS OF DETECTION USING X-RAY FLUORESCENCE ICAGEN INC (US) 2023-08-23 EP disclosed
US-11573224-B2 Methods of detection using X-ray fluorescence ICAGEN, LLC (US) 2023-02-07 US disclosed
US-10877035-B2 Advanced drug development and manufacturing ICAGEN, LLC (US) 2020-12-29 US disclosed
US-20200278346-A1 METHODS OF DETECTION USING X-RAY FLUORESCENCE ADJACENT ACQUISITION CO., LLC 2020-09-03 US disclosed
EP-3681504-A1 METHODS OF DETECTION USING X-RAY FLUORESCENCE Icagen, Inc. (US) 2020-07-22 EP disclosed
WO-2019055754-A1 METHODS OF DETECTION USING X-RAY FLUORESCENCE ICAGEN, INC. (US) 2019-03-21 WO disclosed
US-20150309021-A1 Advanced Drug Development and Manufacturing LOS ALAMOS NATIONAL SECURITY, LLC 2015-10-29 US disclosed
EP-2511844-B1 X-ray microscope XRPRO SCIENCES INC (US) 2015-08-12 EP disclosed
CN-101415884-B Lather-forming tissue paper product SCA HYGIENE PROD GMBH 2013-02-06 CN disclosed
EP-2511844-A2 Advanced drug development and manufacturing Los Alamos National Security, LLC (US) 2012-10-17 EP disclosed
EP-2084519-B1 X-RAY FLUORESCENCE ANALYSIS METHOD LOS ALAMOS NAT SECURITY LLC (US) 2012-08-01 EP disclosed
EP-2084519-A2 ADVANCED DRUG DEVELOPMENT AND MANUFACTURING Los Alamos National Security, LLC (US) 2009-08-05 EP disclosed
CN-101415884-A Lather-forming tissue paper product SCA HYGIENE PROD GMBH (DE) 2009-04-22 CN disclosed
WO-2008127291-A2 ADVANCED DRUG DEVELOPMENT AND MANUFACTURING LOS ALAMOS NATIONAL SECURITY, LLC (US) 2008-10-23 WO disclosed
US-20080220441-A1 Advanced drug development and manufacturing THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2008-09-11 US disclosed
EP-1141379-A1 SCREENING FOR INHIBITORS OF TERPENOIDS BIOSYNTHESIS Bacher, Adelbert (DE) 2001-10-10 EP disclosed
WO-2000036138-A1 SCREENING FOR INHIBITORS OF TERPENOIDS BIOSYNTHESIS BACHER ADELBERT (DE) 2000-06-22 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-20020035058-A1 Isopentenyl pyrophosphate isomerase (IPI) and/or prenyl transferase inhibitors TPI1, ALPI, PPIP5K2 MVD 133/4885BTN3A1 4059/4885GGPS1 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.