SCHEMBL2549787

SCHEMBL2549787

CCOC(=O)C1CSC(=O)N1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTH P32929 1/20 0.49
ALDH1A1 P00352 5/20 0.43
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.40
PKM P14618 2/20 0.39
MAPT P10636 3/20 0.39
KDM4E B2RXH2 2/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL6087635 1.00 CTH (0.49) CTHALDH1A1KMT2AMEN1PKM
SCHEMBL8429877 0.89 CTH (0.43) CTHALDH1A1KMT2AMEN1PKM
SCHEMBL8425570 0.84 CTH (0.45) CTHALDH1A1KMT2AMEN1PKM
SCHEMBL7204462 0.83 ALDH1A1 (0.37) CTHALDH1A1KMT2AMEN1MAPT
SCHEMBL13140460 0.82 CTH (0.49) CTHALDH1A1KMT2AHTT
SCHEMBL13140454 0.82 CTH (0.49) CTHALDH1A1KMT2AHTT
SCHEMBL28115995 0.81 ALDH1A1 (0.42) CTHALDH1A1KMT2AMEN1PKM
SCHEMBL8977676 0.81 ALDH1A1 (0.42) CTHALDH1A1KMT2AMEN1PKM
SCHEMBL8429735 0.80 CTH (0.42) CTHALDH1A1KMT2AMEN1PKM
SCHEMBL16361273 0.80 KMT2A (0.60) CTHALDH1A1KMT2AMEN1MAPT

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 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2555803-B1 PROCESS FOR PREPARING HYPERPOLARIZED SUBSTRATES AND METHOD FOR MRI BRACCO IMAGING SPA (IT) 2018-09-12 EP claimed
EP-2766050-B1 PROCESS FOR THE PREPARATION OF HYPERPOLARIZED DERIVATIVES FOR USE IN MRI ANALYSIS BRACCO IMAGING SPA (IT) 2018-09-05 EP claimed
US-9694090-B2 Process for preparing hyperpolarized substrates and method for MRI BRACCO IMAGING S.P.A. (IT) 2017-07-04 US claimed
US-9511154-B2 Process for the preparation of hyperpolarized derivatives for use in MRI analysis BRACCO IMAGING S.P.A. (IT) 2016-12-06 US claimed
CN-102892434-B Method for preparing hyperpolarized substrates and MRI method BRACCO IMAGING SPA 2014-11-19 CN claimed
US-20140257085-A1 Process For The Preparation Of Hyperpolarized Derivatives For Use In MRI Analysis BRACCO IMAGING S.P.A. (IT) 2014-09-11 US claimed
EP-2766050-A1 PROCESS FOR THE PREPARATION OF HYPERPOLARIZED DERIVATIVES FOR USE IN MRI ANALYSIS Bracco Imaging S.p.A (IT) 2014-08-20 EP claimed
US-20130096420-A1 Process For Preparing Hyperpolarized Substrates And Method For MRI BRACCO IMAGING S.P.A. (IT) 2013-04-18 US claimed
WO-2013053839-A1 PROCESS FOR THE PREPARATION OF HYPERPOLARIZED DERIVATIVES FOR USE IN MRI ANALYSIS BRACCO IMAGING SPA (IT) 2013-04-18 WO claimed
EP-2555803-A1 PROCESS FOR PREPARING HYPERPOLARIZED SUBSTRATES AND METHOD FOR MRI Bracco Imaging S.p.A (IT) 2013-02-13 EP claimed
CN-102892434-A Method for preparing hyperpolarized substrates and MRI method BRACCO IMAGING SPA 2013-01-23 CN claimed
WO-2011124672-A1 PROCESS FOR PREPARING HYPERPOLARIZED SUBSTRATES AND METHOD FOR MRI BRACCO IMAGING SPA (IT) 2011-10-13 WO claimed
EP-2555803-B1 PROCESS FOR PREPARING HYPERPOLARIZED SUBSTRATES AND METHOD FOR MRI BRACCO IMAGING SPA (IT) 2018-09-12 EP disclosed
EP-2766050-B1 PROCESS FOR THE PREPARATION OF HYPERPOLARIZED DERIVATIVES FOR USE IN MRI ANALYSIS BRACCO IMAGING SPA (IT) 2018-09-05 EP disclosed
US-9694090-B2 Process for preparing hyperpolarized substrates and method for MRI BRACCO IMAGING S.P.A. (IT) 2017-07-04 US disclosed
US-9694090-B2 Process for preparing hyperpolarized substrates and method for MRI BRACCO IMAGING S.P.A. (IT) 2017-07-04 US disclosed
EP-0583863-B1 Use of esters of L-2-oxothiazolidine-4-carboxylate for the manufacture of a medicament for stimulating intracellar synthesis of glutathione TRANSCEND THERAPEUTICS INC (US) 1996-11-20 EP disclosed
EP-0583863-A1 Use of esters of L-2-oxothiazolidine-4-carboxylate for the manufacture of a medicament for stimulating intracellar synthesis of glutathione Transcend Therapeutics, Inc. (US) 1994-02-23 EP disclosed
US-5208249-A Method for stimulating intracellular synthesis of glutathione using esters of L-2-oxothiazolidine-4-carboxylate CLINTEC NUTRITION CO. (US) 1993-05-04 US disclosed
US-4042595-A Processes for the production of heterocyclic compounds SNAM PROGETTI S.P.A. (IT) 1977-08-16 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 (2 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-20140257085-A1 Process For The Preparation Of Hyperpolarized Derivatives For Use In MRI Analysis CA4, SLC16A3, SLC16A1 CTH 637/4885ALDH1A1 733/4885KMT2A 1781/4885
US-20130096420-A1 Process For Preparing Hyperpolarized Substrates And Method For MRI HOGA1, HAMP, GLS2 CTH 651/4885ALDH1A1 1420/4885KMT2A 3312/4885

“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.