SCHEMBL6153877

SCHEMBL6153877

O=C(N1CCC2(CC1)SCc1ccccc12)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.41
ESR1 P03372 3/20 0.37
ESR2 Q92731 3/20 0.37
MGLL Q99685 1/20 0.37
ABHD6 Q9BV23 2/20 0.36
MAPK1 P28482 1/20 0.34
EPHX2 P34913 2/20 0.33
RIPK1 Q13546 1/20 0.33
EPHX1 P07099 1/20 0.33
HTR1A P08908 1/20 0.33
ADRA1D P25100 1/20 0.33
ADRA1B P35368 1/20 0.33
PDK2 Q15119 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
CHRM1 P11229 3/20 0.33
HSD11B1 P28845 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
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
SCHEMBL4866714 0.83 RBP4 (0.36) MAPK1EPHX2HSD11B1CYP2C19
SCHEMBL6155345 0.78 CYP3A4 (0.49) MAPK1CYP3A4TSHRCYP2C19
SCHEMBL4871795 0.78 MAPK1 (0.45) KDM1AESR2MAPK1PDK2TSHR
SCHEMBL6153677 0.76 APP (0.50) TSHR
SCHEMBL7379940 0.75 SIGMAR1 (0.41) MAPK1
SCHEMBL6154584 0.74 MEN1 (0.51) KDM1AHTR1ACYP2C19
SCHEMBL20874419 0.73 HSD11B1 (0.53) MAPK1CYP3A4TSHRHSD11B1CYP2C19
SCHEMBL14691832 0.72 ESR1 (0.48) ESR1ESR2MGLLABHD6RIPK1
SCHEMBL6154922 0.72 AVPR1A (0.51) KDM1AESR1ESR2MGLLABHD6
SCHEMBL6153626 0.71 ESR1 (0.36) KDM1AESR1ESR2MGLLABHD6

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

“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.