SCHEMBL6900161

SCHEMBL6900161

CC(C)(O)CCC(F)(P(=O)(O)O)P(=O)(O)O

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PGK1 P00558 2/20 0.50
PGK2 P07205 2/20 0.50
ALDH1A1 P00352 1/20 0.48
LMNA P02545 2/20 0.42
FDPS P14324 12/20 0.39
LPAR1 Q92633 1/20 0.38
LPAR3 Q9UBY5 1/20 0.38
GGPS1 O95749 6/20 0.35
ADRB3 P13945 1/20 0.34
PDE4D Q08499 1/20 0.34
PDE3A Q14432 1/20 0.34
GRM4 Q14833 1/20 0.33

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
SCHEMBL6899018 0.80 PGK1 (0.44) PGK1PGK2LMNAFDPSLPAR1
SCHEMBL6898408 0.79 PGK1 (0.48) PGK1PGK2LMNAFDPSLPAR1
SCHEMBL6900167 0.79 PGK1 (0.43) PGK1PGK2LMNAFDPSLPAR1
SCHEMBL6896204 0.79 PGK1 (0.43) PGK1PGK2LMNAFDPSLPAR1
SCHEMBL6900278 0.79 PGK1 (0.43) PGK1PGK2LMNAFDPSLPAR1
SCHEMBL14029166 0.75 FDPS (0.54) PGK1PGK2FDPSLPAR1LPAR3
SCHEMBL21835980 0.71 LPAR1 (0.57) FDPSLPAR1LPAR3GGPS1PDE3A
SCHEMBL19792810 0.70 FDPS (0.54) PGK1PGK2ALDH1A1LMNAFDPS
SCHEMBL21835985 0.70 LPAR1 (0.67) FDPSLPAR1LPAR3GGPS1
SCHEMBL37987 0.69 ALDH1A1 (1.00) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1165573-B1 COMPOUNDS SELECTIVELY INHIBITING GAMMA 9 DELTA 2 T LYMPHOCYTES INST NAT SANTE ETDE LA RECH ME (FR) 2004-01-21 EP disclosed
US-20040009123-A1 Compounds selectively inhibiting gamma 9 delta 2 T lymphocytes INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 2004-01-15 US disclosed
US-20040006131-A1 Compounds selectively inhibiting gamma 9 delta 2 T lymphocytes INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 2004-01-08 US disclosed
US-6624151-B1 Concerns the uses of said compounds as selective inhibitors of T gamma 9 delta 2 lymphocytes, their uses, for therapeutic purposes. INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 2003-09-23 US disclosed
EP-1165573-A1 COMPOUNDS SELECTIVELY INHIBITING GAMMA 9 DELTA 2 T LYMPHOCYTES INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2002-01-02 EP disclosed
WO-2000059916-A1 COMPOUNDS SELECTIVELY INHIBITING GAMMA 9 DELTA 2 T LYMPHOCYTES INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 2000-10-12 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 (2 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-20040006131-A1 Compounds selectively inhibiting gamma 9 delta 2 T lymphocytes CD4, IL2RA, CD74 PGK1 1638/4885PGK2 1473/4885ALDH1A1 47/4885
US-20040009123-A1 Compounds selectively inhibiting gamma 9 delta 2 T lymphocytes CD4, IL2RA, CD74 PGK1 1638/4885PGK2 1473/4885ALDH1A1 47/4885

“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.