SCHEMBL21890157

SCHEMBL21890157

O=P(O)(S)OCCC(O)CCOP(=O)(O)S

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 1/20 0.32
GABBR2 O75899 1/20 0.32
GABBR1 Q9UBS5 1/20 0.32
PGK1 P00558 1/20 0.31
PGK2 P07205 1/20 0.31
FDPS P14324 1/20 0.31
LPAR5 Q9H1C0 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
SCHEMBL8736081 0.92 THRB (0.36)
SCHEMBL24909869 0.79 LPAR3 (0.33) FDPS
SCHEMBL7146590 0.77
SCHEMBL12333935 0.75 LPAR5 (0.40) GABRR1GABBR2GABBR1PGK1PGK2
SCHEMBL24909981 0.74 LPAR3 (0.41)
SCHEMBL8752659 0.73
SCHEMBL532287 0.71 LPAR3 (0.50) FDPSLPAR5
SCHEMBL18025606 0.70
SCHEMBL8147108 0.70
SCHEMBL1973590 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200101102-A1 TREATMENT OF CANCER USING TLR9 AGONIST WITH CHECKPOINT INHIBITORS IDERA PHARMACEUTICALS, INC. (US) 2020-04-02 US 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-20200101102-A1 TREATMENT OF CANCER USING TLR9 AGONIST WITH CHECKPOINT INHIBITORS TLR9, TLR3, TLR7 GABRR1 4352/4885GABBR2 3612/4885GABBR1 4016/4885

“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.