SCHEMBL16363530

SCHEMBL16363530

CC(C)[S@@+]([O-])c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.33
TAAR1 Q96RJ0 4/20 0.31
SLC6A2 P23975 2/20 0.31
MAOA P21397 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
CYP2A6 P11509 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31
LMNA P02545 2/20 0.30
TSHR P16473 1/20 0.30
ALOX12 P18054 1/20 0.30
ACHE P22303 1/20 0.30
ADRA2A P08913 1/20 0.30
ADRA2C P18825 1/20 0.30
CYP2D6 P10635 1/20 0.30
HIF1A Q16665 1/20 0.30
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL777881 1.00 TDP1 (0.33) TDP1TAAR1SLC6A2MAOASLC6A4
SCHEMBL34254 0.84 TDP1 (0.33) TDP1TAAR1SLC6A2MAOASLC6A4
SCHEMBL11760283 0.80 TAAR1 (0.31) TDP1TAAR1
SCHEMBL778395 0.80 TDP1 (0.31) TDP1
SCHEMBL8107422 0.80 TSHR (0.35) TDP1TSHR
SCHEMBL6911929 0.78 MIF (0.38) TAAR1LMNAADRA2AADRA2CCYP2D6
SCHEMBL16174513 0.77 ACHE (0.40) TDP1MAOAACHE
SCHEMBL12697242 0.77 ACHE (0.40) TDP1MAOAACHE
SCHEMBL18739048 0.77 ACHE (0.46) TDP1TAAR1TSHRACHECYP2D6
SCHEMBL14094187 0.77 LMNA (0.35) TAAR1SLC6A2MAOASLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9932305-B2 Process for the asymmetric oxidation of organic compounds with peroxides in the presence of a chiral acid catalyst STUDIENGESELLSCHAFT KOHLE MBH (DE) 2018-04-03 US disclosed
US-9932305-B2 Process for the asymmetric oxidation of organic compounds with peroxides in the presence of a chiral acid catalyst STUDIENGESELLSCHAFT KOHLE MBH (DE) 2018-04-03 US disclosed
US-20150005527-A1 PROCESS FOR THE ASYMMETRIC OXIDATION OF ORGANIC COMPOUNDS WITH PEROXIDES IN THE PRESENCE OF A CHIRAL ACID CATALYST STUDIENGESELLSCHAFT KOHLE MBH (DE) 2015-01-01 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 (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-20150005527-A1 PROCESS FOR THE ASYMMETRIC OXIDATION OF ORGANIC COMPOUNDS WITH PEROXIDES IN THE PRESENCE OF A CHIRAL ACID CATALYST PPOX, GPX4, PRDX2 TDP1 2064/4885TAAR1 3171/4885SLC6A2 3756/4885

“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.