SCHEMBL6153394

SCHEMBL6153394

O=C(O)N1CCC2(CC1)c1ccccc1C[S@+]2[O-]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 1/20 0.38
HSD11B1 P28845 2/20 0.34
TRPM8 Q7Z2W7 1/20 0.34
KMT2A Q03164 2/20 0.34
HDAC9 Q9UKV0 1/20 0.34
TET3 O43151 1/20 0.34
FBXL19 Q6PCT2 1/20 0.34
CXXC5 Q7LFL8 1/20 0.34
TET1 Q8NFU7 1/20 0.34
KDM2B Q8NHM5 1/20 0.34
CXXC4 Q9H2H0 1/20 0.34
KDM2A Q9Y2K7 1/20 0.34
MEN1 O00255 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
USP2 O75604 1/20 0.33
NR1H2 P55055 2/20 0.32
NR1H3 Q13133 2/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPK1 P28482 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL4867850 1.00 RBP4 (0.38) RBP4HSD11B1TRPM8KMT2AHDAC9
SCHEMBL6153626 0.84 ESR1 (0.36) RBP4HSD11B1TRPM8MAPK1
SCHEMBL4871917 0.81 MAPK1 (0.44) MAPK1
SCHEMBL24137889 0.80 SIGMAR1 (0.40) MAPK1
SCHEMBL1223501 0.73 RBP4 (0.62) RBP4HSD11B1ALDH1A1CYP2C19
SCHEMBL7627479 0.72 HTR2A (0.41)
SCHEMBL761583 0.72 HTR2A (0.41)
SCHEMBL6153867 0.72 HTR2A (0.41)
Hydrochloric Acid SCHEMBL7498632 0.71 HTR2A (0.40)
Hydrochloric Acid SCHEMBL6196871 0.71 HTR2A (0.40)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050209262-A1 Process for producing optically active sulfoxide SANKYO COMPANY, LIMITED (JP) 2005-09-22 US disclosed
EP-1557420-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE SULFOXIDE Sankyo Company, Limited (JP) 2005-07-27 EP 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-20050209262-A1 Process for producing optically active sulfoxide TST, TMT1A, PPOX RBP4 371/4885HSD11B1 78/4885TRPM8 2522/4885

“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.