SCHEMBL6674403

SCHEMBL6674403

CC(C)COC(=O)[C@@H](N)CS

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.44
SLC7A11 Q9UPY5 1/20 0.44
TSHR P16473 3/20 0.42
ALDH1A1 P00352 2/20 0.38
SLC7A5 Q01650 1/20 0.37
ENPEP Q07075 3/20 0.36
ANPEP P15144 1/20 0.34
ERAP2 Q6P179 1/20 0.34
ERAP1 Q9NZ08 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
SLC1A3 P43003 1/20 0.32
SLC1A2 P43004 1/20 0.32
HPGD P15428 1/20 0.31

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
Hydrochloric Acid SCHEMBL9590130 0.98 PTGS1 (0.43) PTGS1SLC7A11TSHRALDH1A1SLC7A5
SCHEMBL564046 0.80 TSHR (0.48) TSHRALDH1A1SLC7A5SMN1; SMN2SLC1A3
SCHEMBL7359844 0.80 SLC7A5 (0.54) TSHRALDH1A1SLC7A5ANPEPERAP1
SCHEMBL21673199 0.80 TSHR (0.43) TSHRALDH1A1SLC7A5SMN1; SMN2SLC1A3
SCHEMBL16086739 0.80 TSHR (0.43) TSHRALDH1A1SLC7A5SMN1; SMN2SLC1A3
SCHEMBL4762688 0.80 SLC7A5 (0.54) TSHRALDH1A1SLC7A5ANPEPERAP1
SCHEMBL19028007 0.80 TSHR (0.48) TSHRALDH1A1SLC7A5SMN1; SMN2SLC1A3
SCHEMBL563054 0.80 TSHR (0.48) TSHRALDH1A1SLC7A5SMN1; SMN2SLC1A3
SCHEMBL23408840 0.79 PTGS1 (0.41) PTGS1SLC7A11ALDH1A1SLC7A5ENPEP
SCHEMBL17659959 0.79 TSHR (0.39) TSHRALDH1A1SLC7A5SMN1; SMN2SLC1A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0546063-A1 TOXIC AGENT PROTECTIVE COMPOUNDS, COMPOSITIONS AND USES The Secretary of State for Defence in Her Britannic Majesty's Government of the United Kingdom of Great Britain and (GB) 1993-06-16 EP claimed
WO-1992004024-A2 TOXIC AGENT PROTECTIVE COMPOUNDS, COMPOSITIONS AND METHOD THE SECRETARY OF STATE FOR DEFENCE IN HER BRITANNIC MAJESTY'S GOVERNMENT OF THE UNITED KINGDOM OF GREAT BRITAIN AND NORTHERN IRELAND (GB) 1992-03-19 WO claimed
US-11236102-B2 Oxabicycloheptane prodrugs LIXTE BIOTECHNOLOGY, INC. (US) 2022-02-01 US disclosed
US-20200325151-A1 OXABICYCLOHEPTANE PRODRUGS LIXTE BIOTECHNOLOGY, INC. 2020-10-15 US disclosed
US-10364252-B2 Oxabicycloheptane prodrugs LIXTE BIOTECHNOLOGY, INC. (US) 2019-07-30 US disclosed
US-9988394-B2 Oxabicycloheptane prodrugs LIXTE BIOTECHNOLOGY INC. (US) 2018-06-05 US disclosed
US-9988394-B2 Oxabicycloheptane prodrugs LIXTE BIOTECHNOLOGY INC. (US) 2018-06-05 US disclosed
US-20160333024-A1 OXABICYCLOHEPTANE PRODRUGS LIXTE BIOTECHNOLOGY, INC. (US) 2016-11-17 US disclosed
US-20040122099-A1 Process for preparing S-(2-aminoethyl)-2-methyl-L-cysteine WUTS PETER GUILLAUME MARIE (US) 2004-06-24 US disclosed
WO-2004039772-A1 PROCESS FOR PREPARING S-(2-AMINOETHYL)-2-METHYL-L-CYSTEINE PHARMACIA & UPJOHN COMPANY LLC (US) 2004-05-13 WO disclosed
EP-0546063-A1 TOXIC AGENT PROTECTIVE COMPOUNDS, COMPOSITIONS AND USES The Secretary of State for Defence in Her Britannic Majesty's Government of the United Kingdom of Great Britain and (GB) 1993-06-16 EP disclosed
WO-1992004024-A2 TOXIC AGENT PROTECTIVE COMPOUNDS, COMPOSITIONS AND METHOD THE SECRETARY OF STATE FOR DEFENCE IN HER BRITANNIC MAJESTY'S GOVERNMENT OF THE UNITED KINGDOM OF GREAT BRITAIN AND NORTHERN IRELAND (GB) 1992-03-19 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 (5 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-20200325151-A1 OXABICYCLOHEPTANE PRODRUGS UGT2B7, UGT1A6, UGT1A1 PTGS1 1549/4885SLC7A11 420/4885TSHR 1135/4885
US-20040122099-A1 Process for preparing S-(2-aminoethyl)-2-methyl-L-cysteine MGMT, CBS, BHMT2 PTGS1 2288/4885SLC7A11 49/4885TSHR 4264/4885
US-20160333024-A1 OXABICYCLOHEPTANE PRODRUGS UGT2B7, UGT1A6, UGT1A1 PTGS1 1549/4885SLC7A11 420/4885TSHR 1135/4885
US-10364252-B2 Oxabicycloheptane prodrugs UGT2B7, UGT1A6, UGT1A1 PTGS1 1549/4885SLC7A11 420/4885TSHR 1135/4885
US-11236102-B2 Oxabicycloheptane prodrugs UGT2B7, UGT1A6, UGT1A1 PTGS1 1549/4885SLC7A11 420/4885TSHR 1135/4885

“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.