SCHEMBL19640892

SCHEMBL19640892

O=S(=O)(c1ccc(F)c(F)c1)N1C2CCC1CNC2

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 3/20 0.52
KMT2A Q03164 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
HTR6 P50406 2/20 0.45
PSEN1 P49768 2/20 0.41
PSEN2 P49810 2/20 0.41
APH1B Q8WW43 2/20 0.41
NCSTN Q92542 2/20 0.41
APH1A Q96BI3 2/20 0.41
PSENEN Q9NZ42 2/20 0.41
JAK1 P23458 1/20 0.40
ALDH3A1 P30838 1/20 0.40
CHRNB2 P17787 2/20 0.38
CHRNA4 P43681 2/20 0.38
TRPA1 O75762 1/20 0.38
CYP19A1 P11511 1/20 0.38
CHRM5 P08912 1/20 0.37
APP P05067 1/20 0.37
FKBP5 Q13451 1/20 0.37

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
SCHEMBL19640908 0.87 AKR1C3 (0.55) AKR1C3KMT2APSEN1PSEN2APH1B
SCHEMBL21913514 0.84 KMT2A (0.47) AKR1C3KMT2ATDP1HTR6PSEN1
SCHEMBL19640858 0.82 AKR1C3 (0.49) AKR1C3KMT2AHTR6PSEN1PSEN2
SCHEMBL29500394 0.80 AKR1C3 (0.53) AKR1C3KMT2AHTR6
SCHEMBL19013676 0.80 AKR1C3 (0.53) AKR1C3KMT2AHTR6
Hydrochloric Acid SCHEMBL19640861 0.79 AKR1C3 (0.52) AKR1C3KMT2AHTR6
SCHEMBL19640817 0.79 AKR1C3 (0.49) AKR1C3KMT2AHTR6PSEN1PSEN2
SCHEMBL19640887 0.79 PSEN1 (0.57) AKR1C3KMT2APSEN1PSEN2APH1B
SCHEMBL18422148 0.78 CHRNB2 (0.44) AKR1C3KMT2ATDP1HTR6CHRNB2
Hydrochloric Acid SCHEMBL19640871 0.78 AKR1C3 (0.48) AKR1C3KMT2AHTR6PSEN1PSEN2

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 7 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
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 AKR1C3 45/4885KMT2A 1334/4885TDP1 344/4885
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 AKR1C3 45/4885KMT2A 1334/4885TDP1 344/4885

“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.