SCHEMBL6153626

SCHEMBL6153626

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.36
ESR2 Q92731 3/20 0.36
KDM1A O60341 1/20 0.34
EPHX1 P07099 1/20 0.34
EPHX2 P34913 1/20 0.34
MGLL Q99685 1/20 0.33
TRPM8 Q7Z2W7 1/20 0.33
RBP4 P02753 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD11B1 P28845 3/20 0.32
RIPK1 Q13546 1/20 0.32
ABHD6 Q9BV23 1/20 0.32
HTR1A P08908 1/20 0.32
ADRA1D P25100 1/20 0.32
ADRA1B P35368 1/20 0.32
PDK2 Q15119 1/20 0.32
CYP3A4 P08684 1/20 0.32
TSHR P16473 1/20 0.32
CHRM1 P11229 2/20 0.32
CHRM4 P08173 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
SCHEMBL6153394 0.84 RBP4 (0.38) TRPM8RBP4MAPK1HSD11B1
SCHEMBL4867850 0.84 RBP4 (0.38) TRPM8RBP4MAPK1HSD11B1
SCHEMBL4871917 0.79 MAPK1 (0.44) KDM1AMAPK1PDK2TSHR
SCHEMBL6996427 0.79 MAPK1 (0.44) KDM1AMAPK1PDK2TSHR
SCHEMBL24137889 0.76 SIGMAR1 (0.40) KDM1AMAPK1
SCHEMBL6153877 0.71 KDM1A (0.41) ESR1ESR2KDM1AEPHX1EPHX2
SCHEMBL20874419 0.71 HSD11B1 (0.53) MAPK1HSD11B1CYP3A4TSHR
SCHEMBL14691832 0.70 ESR1 (0.48) ESR1ESR2MGLLRIPK1ABHD6
SCHEMBL6154922 0.70 AVPR1A (0.51) ESR1ESR2KDM1AEPHX1EPHX2
SCHEMBL506139 0.69 ESR1 (0.59) ESR1ESR2KDM1ARIPK1ABHD6

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 ESR1 1204/4885ESR2 1090/4885KDM1A 3224/4885

“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.