SCHEMBL19640864

SCHEMBL19640864

O=S(=O)(c1ccc(O)cc1)N1C2CCC1CNC2

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.60
AKR1C3 P42330 3/20 0.50
HSD11B1 P28845 5/20 0.44
PSEN1 P49768 2/20 0.44
PSEN2 P49810 2/20 0.44
APH1B Q8WW43 2/20 0.44
NCSTN Q92542 2/20 0.44
APH1A Q96BI3 2/20 0.44
PSENEN Q9NZ42 2/20 0.44
OPRM1 P35372 1/20 0.41
MMP2 P08253 1/20 0.40
LMNA P02545 1/20 0.39
ACHE P22303 2/20 0.39
EPHX2 P34913 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
ENPP2 Q13822 1/20 0.38

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
SCHEMBL19640883 0.83 ACHE (0.58) AKR1C3HSD11B1MMP2ACHECA1
SCHEMBL19640887 0.83 PSEN1 (0.57) AKR1C3HSD11B1PSEN1PSEN2APH1B
SCHEMBL19640858 0.83 AKR1C3 (0.49) ESR1AKR1C3HSD11B1PSEN1PSEN2
SCHEMBL19640791 0.82 ACHE (0.54) AKR1C3MMP2LMNAACHE
SCHEMBL19640805 0.79 ALDH1A1 (0.55) AKR1C3HSD11B1MMP2LMNA
SCHEMBL19640886 0.79 AKR1C3 (0.52) AKR1C3HSD11B1PSEN1PSEN2APH1B
SCHEMBL2217801 0.77 PSEN1 (0.62) AKR1C3PSEN1PSEN2APH1BNCSTN
SCHEMBL19640892 0.76 AKR1C3 (0.52) AKR1C3PSEN1PSEN2APH1BNCSTN
SCHEMBL19640817 0.72 AKR1C3 (0.49) AKR1C3PSEN1PSEN2APH1BNCSTN
SCHEMBL19640794 0.72 AKR1C3 (0.49) AKR1C3PSEN1PSEN2APH1BNCSTN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3464288-B1 [8-(PHENYLSULFONYL)-3,8-DIAZABICYCLO[3.2.1]OCT-3-YL](1H-1,2,3-TRIAZOL-4-YL)METHANONES Bayer Pharma AG (DE) 2020-12-23 EP disclosed
EP-3464288-B1 [8-(PHENYLSULFONYL)-3,8-DIAZABICYCLO[3.2.1]OCT-3-YL](1H-1,2,3-TRIAZOL-4-YL)METHANONES Bayer Pharma AG (DE) 2020-12-23 EP disclosed
US-10167293-B2 [8-(phenylsulfonyl)-3,8-diazabicyclo[3.2.1]oct-3-yl](1H-1,2,3-triazol-4-yl)methanones BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-01-01 US disclosed
US-10167293-B2 [8-(phenylsulfonyl)-3,8-diazabicyclo[3.2.1]oct-3-yl](1H-1,2,3-triazol-4-yl)methanones BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-01-01 US disclosed
US-20170342082-A1 [8-(PHENYLSULFONYL)-3,8-DIAZABICYCLO[3.2.1]OCT-3-YL](1H-1,2,3-TRIAZOL-4-YL)METHANONES Bayer Pharma AG (DE) 2017-11-30 US disclosed
US-20170342082-A1 [8-(PHENYLSULFONYL)-3,8-DIAZABICYCLO[3.2.1]OCT-3-YL](1H-1,2,3-TRIAZOL-4-YL)METHANONES Bayer Pharma AG (DE) 2017-11-30 US disclosed
US-20170342082-A1 [8-(PHENYLSULFONYL)-3,8-DIAZABICYCLO[3.2.1]OCT-3-YL](1H-1,2,3-TRIAZOL-4-YL)METHANONES Bayer Pharma AG (DE) 2017-11-30 US disclosed
WO-2017202817-A1 [8-(PHENYLSULFONYL)-3,8-DIAZABICYCLO[3.2.1]OCT-3-YL] (1H-1,2,3-TRIAZOL-4-YL)METHANONES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-11-30 WO 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-20170342082-A1 [8-(PHENYLSULFONYL)-3,8-DIAZABICYCLO[3.2.1]OCT-3-YL](1H-1,2,3-TRIAZOL-4-YL)METHANONES PKD1, PKD2, PDK3 ESR1 740/4885AKR1C3 45/4885HSD11B1 235/4885
US-10167293-B2 [8-(phenylsulfonyl)-3,8-diazabicyclo[3.2.1]oct-3-yl](1H-1,2,3-triazol-4-yl)methanones PKD1, PKD2, PDK3 ESR1 740/4885AKR1C3 45/4885HSD11B1 235/4885

“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.