SCHEMBL1238007

SCHEMBL1238007

CCC([C]=O)(CC)P(=O)(O)O

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FDPS P14324 15/20 0.37
GGPS1 O95749 7/20 0.33
LMNA P02545 1/20 0.33
SMPD1 P17405 2/20 0.31
LPAR1 Q92633 1/20 0.31
LPAR3 Q9UBY5 1/20 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
SCHEMBL98484 0.79 LMNA (0.39) FDPSGGPS1LMNALPAR1LPAR3
SCHEMBL2782812 0.73 GGPS1 (0.59) FDPSGGPS1SMPD1LPAR1LPAR3
SCHEMBL9393428 0.73 GGPS1 (0.59) FDPSGGPS1SMPD1LPAR1LPAR3
SCHEMBL6307341 0.70 FDPS (0.45) FDPSGGPS1LMNASMPD1LPAR1
SCHEMBL513412 0.70 FDPS (0.31) FDPS
SCHEMBL19386024 0.70 FDPS (0.43) FDPSGGPS1LMNASMPD1
SCHEMBL6296955 0.65 FDPS (0.43) FDPSGGPS1LMNASMPD1LPAR1
SCHEMBL1768259 0.65 FDPS (0.43) FDPSGGPS1LMNASMPD1LPAR1
SCHEMBL246809 0.65 FDPS (0.43) FDPSGGPS1LMNASMPD1LPAR1
SCHEMBL8718782 0.65 GGPS1 (0.50) FDPSGGPS1LMNASMPD1LPAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1189891-A1 TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF LION Bioscience AG (DE) 2002-03-27 EP claimed
US-6362342-B1 BIOSYNTHESIS; DRUG LIBRARIES LION BIOSCIENCE AG (DE) 2002-03-26 US claimed
WO-2001000594-A1 TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2001-01-04 WO claimed
WO-2010123599-A9 ANTI-BACTERIAL COMPOSITIONS AND METHODS INCLUDING TARGETING VIRULENCE FACTORS OF STAPHYLOCOCCUS AUREUS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2011-02-17 WO disclosed
WO-2010123599-A2 ANTI-BACTERIAL COMPOSITIONS AND METHODS INCLUDING TARGETING VIRULENCE FACTORS OF STAPHYLOCOCCUS AUREUS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2010-10-28 WO disclosed
EP-1740556-A1 HETEROCYCLIC ANTI-VIRAL COMPOUNDS COMPRISING METABOLIZABLE MOIETIES AND THEIR USES Rigel Pharmaceuticals, Inc. (US) 2007-01-10 EP disclosed
US-20050239751-A1 Heterocyclic anti-viral compounds comprising metabolizable moieties and their uses RIGEL PHARMACEUTICALS, INC. (US) 2005-10-27 US disclosed
WO-2005097760-A1 HETEROCYCLIC ANTI-VIRAL COMPOUNDS COMPRISING METABOLIZABLE MOIETIES AND THEIR USES RIGEL PHARMACEUTICALS, INC. (US) 2005-10-20 WO disclosed
EP-1189891-A1 TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF LION Bioscience AG (DE) 2002-03-27 EP disclosed
US-6362342-B1 BIOSYNTHESIS; DRUG LIBRARIES LION BIOSCIENCE AG (DE) 2002-03-26 US disclosed
WO-2001000594-A1 TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2001-01-04 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-20050239751-A1 Heterocyclic anti-viral compounds comprising metabolizable moieties and their uses HAVCR2, HCCS, AADAC FDPS 49/4885GGPS1 199/4885LMNA 3663/4885

“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.