SCHEMBL6899520

SCHEMBL6899520

C=C(C)CCC(P(=O)(O)O)P(=O)(O)O

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FDPS P14324 6/20 0.52
BTN3A1 O00481 1/20 0.39
LAP3 P28838 1/20 0.36
PGK1 P00558 1/20 0.35
PGK2 P07205 1/20 0.35

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
SCHEMBL4819680 0.79 BTN3A1 (0.38) FDPSBTN3A1LAP3PGK1PGK2
SCHEMBL9176133 0.78 FDPS (0.54) FDPS
SCHEMBL28028382 0.75 FDPS (0.44) FDPSBTN3A1LAP3PGK1PGK2
SCHEMBL10785210 0.73 FDPS (0.67) FDPS
SCHEMBL2454026 0.72
SCHEMBL1850194 0.70 FOLH1 (0.60) FDPS
SCHEMBL4095556 0.69 FDPS (1.00) FDPSLAP3
SCHEMBL16527330 0.69 FDPS (0.55) FDPSLAP3PGK1PGK2
SCHEMBL2454398 0.68 TYMS (0.52) BTN3A1
SCHEMBL9175678 0.68 FDPS (0.48) FDPS

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
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 claimed
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 claimed
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 claimed
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 claimed
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 claimed
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 FDPS 2429/4885BTN3A1 947/4885LAP3 3143/4885
US-20040009123-A1 Compounds selectively inhibiting gamma 9 delta 2 T lymphocytes CD4, IL2RA, CD74 FDPS 2429/4885BTN3A1 947/4885LAP3 3143/4885

“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.