SCHEMBL5490113

SCHEMBL5490113

O=C(O)[C@@H]1CC(CP(=O)(O)S)CN1.[NaH].[NaH].[NaH]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
CYP1A2 P05177 2/20 0.51
ALOX15 P16050 2/20 0.51
CYP2C19 P33261 2/20 0.51
ALDH1A1 P00352 1/20 0.51
THRB P10828 1/20 0.51
GRIN2D O15399 1/20 0.51
GRIN3B O60391 1/20 0.51
GRIA1 P42261 1/20 0.51
GRIA2 P42262 1/20 0.51
GRIA3 P42263 1/20 0.51
GRIA4 P48058 1/20 0.51
GRIN1 Q05586 1/20 0.51
GRIN2A Q12879 1/20 0.51
GRIN2B Q13224 1/20 0.51
GRIN2C Q14957 1/20 0.51
GRIN3A Q8TCU5 1/20 0.51
KDM4E B2RXH2 1/20 0.49
ARG1 P05089 2/20 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
SCHEMBL5489971 0.98 MEN1 (0.53) MEN1KMT2ACYP1A2ALOX15CYP2C19
SCHEMBL5058324 0.84 MEN1 (0.70) MEN1KMT2ACYP1A2ALOX15CYP2C19
SCHEMBL9601914 0.84 MEN1 (0.70) MEN1KMT2ACYP1A2ALOX15CYP2C19
SCHEMBL5058500 0.84 MEN1 (0.70) MEN1KMT2ACYP1A2ALOX15CYP2C19
SCHEMBL5058328 0.84 MEN1 (0.70) MEN1KMT2ACYP1A2ALOX15CYP2C19
SCHEMBL5664666 0.81 MEN1 (0.49) MEN1KMT2ACYP1A2ALOX15CYP2C19
SCHEMBL7809380 0.81 MEN1 (0.49) MEN1KMT2ACYP1A2ALOX15CYP2C19
SCHEMBL5489973 0.81 MEN1 (0.49) MEN1KMT2ACYP1A2ALOX15CYP2C19
SCHEMBL14521431 0.79 ARG1 (0.51) MEN1KMT2ACYP1A2ALOX15CYP2C19
SCHEMBL7745154 0.75 ARG1 (0.44) MEN1KMT2ACYP1A2ALOX15CYP2C19

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-20070078082-A1 Methods and compositions to treat glycosaminoglycan-associated molecular interactions NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2007-04-05 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-20070078082-A1 Methods and compositions to treat glycosaminoglycan-associated molecular interactions HPSE, CD44, CSGALNACT1 MEN1 3711/4885KMT2A 4400/4885CYP1A2 4547/4885

“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.