SCHEMBL801929

SCHEMBL801929

CC(=O)C1CCC2C3CC[C@@H]4C[C@H](OC(=O)[C@H](CC(=O)O)Nc5ccc([N+](=O)[O-])c6nonc56)CC[C@]4(C)C3CC[C@]12C

nearest known ligand 0.79

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ST6GAL1 P15907 13/20 0.79
ST3GAL1 Q11201 2/20 0.79
ST3GAL3 Q11203 1/20 0.79
GRIN1 Q05586 2/20 0.51
GRIN2B Q13224 2/20 0.51
GRIN2D O15399 1/20 0.43
GRIN2A Q12879 1/20 0.43
GRIN2C Q14957 1/20 0.43

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
SCHEMBL805327 0.89 ST6GAL1 (0.63) ST6GAL1ST3GAL1ST3GAL3GRIN1GRIN2B
SCHEMBL29354917 0.84 ST6GAL1 (1.00) ST6GAL1ST3GAL1ST3GAL3
SCHEMBL22871944 0.84 ST6GAL1 (0.86) ST6GAL1ST3GAL1ST3GAL3
SCHEMBL22871946 0.82 ST6GAL1 (0.86) ST6GAL1ST3GAL1ST3GAL3
SCHEMBL22871981 0.82 ST6GAL1 (0.86) ST6GAL1ST3GAL1ST3GAL3
SCHEMBL20480771 0.82 ST6GAL1 (1.00) ST6GAL1ST3GAL1ST3GAL3
SCHEMBL20480772 0.82 ST6GAL1 (1.00) ST6GAL1ST3GAL1ST3GAL3
SCHEMBL22871917 0.82 ST6GAL1 (0.86) ST6GAL1ST3GAL1ST3GAL3
SCHEMBL22872006 0.82 ST6GAL1 (0.86) ST6GAL1ST3GAL1ST3GAL3
SCHEMBL18576098 0.82 ST6GAL1 (1.00) ST6GAL1ST3GAL1ST3GAL3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8575376-B2 Steroide anionic compounds, method of their production, usage and pharmaceutical preparation involving them USTAV ORGANICKE CHEMIE A BIOCHEMIE AKADEMIE VED CESKE REPUBLIKY, V.V.I. (CZ) 2013-11-05 US disclosed
US-8575376-B2 Steroide anionic compounds, method of their production, usage and pharmaceutical preparation involving them USTAV ORGANICKE CHEMIE A BIOCHEMIE AKADEMIE VED CESKE REPUBLIKY, V.V.I. (CZ) 2013-11-05 US disclosed
US-20120071453-A1 STEROIDE ANIONIC COMPOUNDS, METHOD OF THEIR PRODUCTION, USAGE AND PHARMACEUTICAL PREPARATION INVOLVING THEM PSYCHIATRICKE CENTRUM PRAHA (CZ) 2012-03-22 US disclosed
WO-2010136000-A2 STEROIDE ANIONIC COMPOUNDS, METHOD OF THEIR PRODUCTION, USAGE AND PHARMACEUTICAL PREPARATION INVOLVING THEM ÚSTAV ORGANICKÉ CHEMIE BIOCHEMIE AKADEMIE VĚD ČESKÉ REPUBLIKY, V.V.I. (CZ) 2010-12-02 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 (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-20120071453-A1 STEROIDE ANIONIC COMPOUNDS, METHOD OF THEIR PRODUCTION, USAGE AND PHARMACEUTICAL PREPARATION INVOLVING THEM GRIN2A, GRIN2B, GRIN1 ST6GAL1 1424/4885ST3GAL1 3314/4885ST3GAL3 2379/4885

“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.