SCHEMBL783063

SCHEMBL783063

CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](OS(=O)(=O)O[C@@H]5CC[C@@]6(C)[C@H](CC[C@@H]7[C@@H]6CC[C@]6(C)[C@@H](C(C)=O)CC[C@@H]76)C5)CC[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 7/20 0.85
GRIN2B Q13224 7/20 0.85
GRIN2D O15399 2/20 0.85
GRIN2A Q12879 2/20 0.85
GRIN2C Q14957 2/20 0.85
G6PD P11413 6/20 0.66
GABRP O00591 2/20 0.66
GABRD O14764 2/20 0.66
GABRA1 P14867 2/20 0.66
GABRB1 P18505 2/20 0.66
GABRG2 P18507 2/20 0.66
GABRB3 P28472 2/20 0.66
GABRA5 P31644 2/20 0.66
GABRA3 P34903 2/20 0.66
GABRA2 P47869 2/20 0.66
GABRB2 P47870 2/20 0.66
GABRA4 P48169 2/20 0.66
GABRE P78334 2/20 0.66
GABRA6 Q16445 2/20 0.66
GABRG1 Q8N1C3 2/20 0.66

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
SCHEMBL783064 0.92 GRIN1 (1.00) GRIN1GRIN2BGRIN2DGRIN2AGRIN2C
SCHEMBL19281748 0.92 GRIN1 (1.00) GRIN1GRIN2BGRIN2DGRIN2AGRIN2C
SCHEMBL782132 0.92 GRIN1 (1.00) GRIN1GRIN2BGRIN2DGRIN2AGRIN2C
SCHEMBL782131 0.92 GRIN1 (1.00) GRIN1GRIN2BGRIN2DGRIN2AGRIN2C
SCHEMBL4191973 0.92 GRIN1 (1.00) GRIN1GRIN2BGRIN2DGRIN2AGRIN2C
SCHEMBL24703701 0.92 GRIN1 (1.00) GRIN1GRIN2BGRIN2DGRIN2AGRIN2C
SCHEMBL8075513 0.92 GRIN1 (1.00) GRIN1GRIN2BGRIN2DGRIN2AGRIN2C
SCHEMBL6377561 0.92 GRIN1 (1.00) GRIN1GRIN2BGRIN2DGRIN2AGRIN2C
SCHEMBL4198024 0.92 GRIN1 (1.00) GRIN1GRIN2BGRIN2DGRIN2AGRIN2C
SCHEMBL19253173 0.89 GRIN1 (0.85) GRIN1GRIN2BGRIN2DGRIN2AGRIN2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3243829-A1 STEROID ANIONIC COMPOUNDS, METHOD FOR THEIR PRODUCTION, USE AND PHARMACEUTICAL PREPARATION CONTAINING THEM Ústav Organické Chemie A Biochemie Akademie Ved Ceské Republiky, v.v.i. (CZ) 2017-11-15 EP disclosed
EP-2435463-B1 STEROIDE ANIONIC COMPOUNDS, METHOD OF THEIR PRODUCTION, USAGE AND PHARMACEUTICAL PREPARATION INVOLVING THEM ÚSTAV ORGANICKÉ CHEMIE BIOCHEMIE AKADEMIE VED CESKÉ REPUBLIKY V V I (CZ) 2016-10-12 EP disclosed
EP-2313424-B1 ANIONIC PREGNANE COMPOUNDS, METHOD FOR THEIR PRODUCING AND USE OF THEM USTAV ORGANICKE CHEMIE A BIOCHEMIE AKADEMIE VED CESKE REPUBLIKY V V I (CZ) 2014-04-23 EP 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
EP-2435463-A2 STEROIDE ANIONIC COMPOUNDS, METHOD OF THEIR PRODUCTION, USAGE AND PHARMACEUTICAL PREPARATION INVOLVING THEM Ustav Organicke Chemie A Biochemie Akademie Ved Ceske Republiky (CZ) 2012-04-04 EP 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
EP-2313424-A2 ANIONIC PREGNANE COMPOUNDS, METHOD FOR THEIR PRODUCING AND USE OF THEM Ustav Organicke Chemie A Biochemie Akademie Ved Ceske Republiky (CZ) 2011-04-27 EP 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
WO-2010003391-A2 ANIONIC PREGNANE COMPOUNDS, METHOD FOR THEIR PRODUCING AND USE OF THEM USTAV ORSANICKE CHEMIE A BIOCHEMIE AKADEMIE VED CESKE REPUBLIKY, V.V.I. (CZ) 2010-01-14 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 GRIN1 3/4885GRIN2B 2/4885GRIN2D 14/4885

“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.