SCHEMBL13902860

SCHEMBL13902860

CC(C)SC[C@H](N)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.50
KIF11 P52732 9/20 0.47
SLC1A3 P43003 3/20 0.45
SLC1A2 P43004 3/20 0.45
SLC1A1 P43005 2/20 0.45
ARG1 P05089 1/20 0.44
ARG2 P78540 1/20 0.44
NOS2 P35228 3/20 0.43
NOS1 P29475 2/20 0.43
NOS3 P29474 1/20 0.43
BHMT Q93088 1/20 0.42
BHMT2 Q9H2M3 1/20 0.42
PTGS1 P23219 1/20 0.42
SLC7A11 Q9UPY5 1/20 0.42

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
SCHEMBL13988062 1.00 SLC7A5 (0.50) SLC7A5KIF11SLC1A3SLC1A2SLC1A1
SCHEMBL28948326 1.00 SLC7A5 (0.50) SLC7A5KIF11SLC1A3SLC1A2SLC1A1
SCHEMBL6542263 0.86 SLC7A5 (0.50) SLC7A5KIF11SLC1A3SLC1A2SLC1A1
SCHEMBL6542267 0.86 SLC7A5 (0.50) SLC7A5KIF11SLC1A3SLC1A2SLC1A1
SCHEMBL3715550 0.84 SLC7A5 (0.48) SLC7A5KIF11SLC1A3SLC1A2SLC1A1
Hydrochloric Acid SCHEMBL9463162 0.84 SLC7A5 (0.48) SLC7A5KIF11SLC1A3SLC1A2SLC1A1
Hydrochloric Acid SCHEMBL9462892 0.84 SLC7A5 (0.48) SLC7A5KIF11SLC1A3SLC1A2SLC1A1
SCHEMBL6231968 0.84 SLC7A5 (0.48) SLC7A5KIF11SLC1A3SLC1A2SLC1A1
SCHEMBL15600074 0.82 SLC7A5 (0.46) SLC7A5KIF11SLC1A3SLC1A2SLC1A1
SCHEMBL8518857 0.82 SLC7A5 (0.46) SLC7A5KIF11SLC1A3SLC1A2SLC1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119894525-A Mucispirillum compositions and methods of treating cancer 哈佛大学校长及研究员协会 2025-04-25 CN disclosed
CN-115677482-A Synthesis method of chiral alpha-hydroxy acid 上海吉奉生物科技有限公司 2023-02-03 CN disclosed
US-20220193063-A1 METABOLITES OF GLP1R AGONISTS PFIZER INC. (US) 2022-06-23 US disclosed
US-9468625-B2 Organonitro thioether compounds and medical uses thereof EPICENTRX, INC. (US) 2016-10-18 US disclosed
US-20160081981-A1 ORGANONITRO THIOETHER COMPOUNDS AND MEDICAL USES THEREOF RADIORX, INC. 2016-03-24 US disclosed
US-9139519-B2 Organonitro thioether compounds and medical uses thereof EPICENTRX, INC. (US) 2015-09-22 US disclosed
US-20140349988-A1 ORGANONITRO THIOETHER COMPOUNDS AND MEDICAL USES THEREOF RADIORX, INC. (US) 2014-11-27 US disclosed
US-7507546-B2 Methods of screening agents, conjugates or conjugate moieties for transport by a PEPT2 transporter XENOPORT, INC. (US) 2009-03-24 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 (3 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-20220193063-A1 METABOLITES OF GLP1R AGONISTS GLP1R, GIPR, GCGR SLC7A5 981/4885KIF11 3302/4885SLC1A3 663/4885
US-20140349988-A1 ORGANONITRO THIOETHER COMPOUNDS AND MEDICAL USES THEREOF SLC22A8, SLCO2A1, SLCO2B1 SLC7A5 564/4885KIF11 1686/4885SLC1A3 746/4885
US-20160081981-A1 ORGANONITRO THIOETHER COMPOUNDS AND MEDICAL USES THEREOF SLC22A8, XPOT, NPM1 SLC7A5 1266/4885KIF11 2056/4885SLC1A3 824/4885

“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.