SCHEMBL29969049

SCHEMBL29969049

CCOS(=O)(=O)OC(=O)[C@@H](N)Cc1ccc(O)cc1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.50
TAAR1 Q96RJ0 3/20 0.42
SLC6A2 P23975 1/20 0.42
ESR1 P03372 2/20 0.41
ESR2 Q92731 2/20 0.41
LNPEP Q9UIQ6 2/20 0.41
ERAP2 Q6P179 1/20 0.41
TPH1 P17752 2/20 0.40
HDAC8 Q9BY41 2/20 0.40
DPP4 P27487 1/20 0.40
OPRD1 P41143 1/20 0.39

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
SCHEMBL168028 0.88 SLC7A5 (0.59) SLC7A5TAAR1SLC6A2ESR1ESR2
SCHEMBL29969329 0.86 SLC7A5 (0.53) SLC7A5TAAR1SLC6A2ESR1ESR2
SCHEMBL168029 0.81 SLC7A5 (0.57) SLC7A5TAAR1SLC6A2ESR1ESR2
SCHEMBL6523945 0.81 SLC7A5 (0.57) SLC7A5TAAR1SLC6A2ESR1ESR2
L-Tyrosine Ethylester SCHEMBL242947 0.81 SLC7A5 (0.61) SLC7A5TAAR1SLC6A2ESR1ESR2
L-Tyrosine Ethylester SCHEMBL9327871 0.81 SLC7A5 (0.61) SLC7A5TAAR1SLC6A2ESR1ESR2
L-Tyrosine Ethylester SCHEMBL242946 0.81 SLC7A5 (0.61) SLC7A5TAAR1SLC6A2ESR1ESR2
SCHEMBL25234890 0.80 SLC7A5 (0.56) SLC7A5TAAR1SLC6A2ESR1ESR2
SCHEMBL3476198 0.80 SLC7A5 (0.56) SLC7A5TAAR1SLC6A2ESR1ESR2
L-Tyrosine Ethylester SCHEMBL9331146 0.79 SLC7A5 (0.59) SLC7A5TAAR1SLC6A2ESR1ESR2

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-12390424-B2 Sulfur (VI) fluoride compounds and methods for the preparation thereof THE SCRIPPS RESEARCH INSTITUTE (US) 2025-08-19 US disclosed
EP-4295841-A2 SULFUR (VI) FLUORIDE COMPOUNDS AND THEIR USE IN CLICK-REACTION The Scripps Research Institute (US) 2023-12-27 EP disclosed
EP-3892610-B1 SULFUR (VI) FLUORIDE COMPOUNDS AND THEIR USE IN CLICK-REACTION SCRIPPS RESEARCH INST (US) 2023-08-16 EP disclosed
US-20220313624-A1 SULFUR (VI) FLUORIDE COMPOUNDS AND METHODS FOR THE PREPARATION THEREOF THE SCRIPPS RESEARCH INSTITUTE (US) 2022-10-06 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-12390424-B2 Sulfur (VI) fluoride compounds and methods for the preparation thereof GRB2, SCTR, OGFR SLC7A5 459/4885TAAR1 431/4885SLC6A2 1561/4885
US-20220313624-A1 SULFUR (VI) FLUORIDE COMPOUNDS AND METHODS FOR THE PREPARATION THEREOF QSOX1, YBX1, SFXN1 SLC7A5 1373/4885TAAR1 3245/4885SLC6A2 3040/4885

“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.