SCHEMBL7076983

SCHEMBL7076983

COC(=O)CC[C@H](NC(=O)c1ccc(NC[C@H]2CNc3nc(N)[nH]c(=O)c3N2)cc1)C(=O)O

nearest known ligand 0.85

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SOST Q9BQB4 1/20 0.85
FPGS Q05932 2/20 0.84
GART P22102 5/20 0.64
DHFR P00374 1/20 0.58
ATIC P31939 4/20 0.56
MTHFD1 P11586 2/20 0.56
LMNA P02545 1/20 0.49
MTHFD2 P13995 1/20 0.49

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
SCHEMBL20509041 1.00 SOST (0.85) SOSTFPGSGARTDHFRATIC
SCHEMBL27903149 1.00 SOST (0.85) SOSTFPGSGARTDHFRATIC
SCHEMBL7077904 1.00 SOST (0.85) SOSTFPGSGARTDHFRATIC
SCHEMBL133543 1.00 SOST (0.85) SOSTFPGSGARTDHFRATIC
SCHEMBL28206347 0.99 SOST (0.84) SOSTFPGSGARTDHFRATIC
SCHEMBL27284124 0.99 SOST (0.84) SOSTFPGSGARTDHFRATIC
Phosphoric Acid SCHEMBL28313723 0.98 SOST (0.82) SOSTFPGSGARTDHFRATIC
Tetrahydrofolate SCHEMBL27798266 0.98 SOST (0.90) SOSTFPGSGARTDHFRATIC
Glycine SCHEMBL27746532 0.97 SOST (0.83) SOSTFPGSGARTDHFRATIC
Butyric Acid SCHEMBL28187742 0.94 SOST (0.76) SOSTFPGSGARTDHFRATIC

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-20030148991-A1 Use of at least one lipoic acid, of a physiologically acceptable derivative and/or salt thereof and at least one C1 donor for producing formulation for C1 donor-assisted therapy of central nervous system disorders BASF AKTIENGESELLSCHAFT (DE) 2003-08-07 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-20030148991-A1 Use of at least one lipoic acid, of a physiologically acceptable derivative and/or salt thereof and at least one C1 donor for producing formulation for C1 donor-assisted therapy of central nervous system disorders AMD1, MAT1A, C1S SOST 3540/4885FPGS 259/4885GART 108/4885

“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.