SCHEMBL19640795

SCHEMBL19640795

O=S(=O)(c1cccc(C(F)(F)F)c1)N1C2CCC1CNC2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.55
PKM P14618 1/20 0.49
PKLR P30613 1/20 0.49
HTT P42858 1/20 0.49
PSEN1 P49768 7/20 0.48
PSEN2 P49810 7/20 0.48
APH1B Q8WW43 7/20 0.48
NCSTN Q92542 7/20 0.48
APH1A Q96BI3 7/20 0.48
PSENEN Q9NZ42 7/20 0.48
CNR1 P21554 1/20 0.48
HTR6 P50406 4/20 0.47
KDM2B Q8NHM5 1/20 0.47
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
MMP1 P03956 1/20 0.46
MMP2 P08253 1/20 0.46
MMP9 P14780 1/20 0.46
MMP8 P22894 1/20 0.46
MMP13 P45452 1/20 0.46

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
SCHEMBL19640910 0.85 AKR1C3 (0.52) AKR1C3CNR1HTR6GAA
SCHEMBL21914182 0.85 AKR1C3 (0.47) AKR1C3PKMPKLRHTTPSEN1
SCHEMBL19013822 0.83 AKR1C3 (0.58) AKR1C3PKMPKLRHTTPSEN1
SCHEMBL19640886 0.82 AKR1C3 (0.52) AKR1C3PSEN1PSEN2APH1BNCSTN
SCHEMBL19013676 0.81 AKR1C3 (0.53) AKR1C3PKMPKLRHTR6
SCHEMBL29500394 0.81 AKR1C3 (0.53) AKR1C3PKMPKLRHTR6
SCHEMBL19640868 0.80 AKR1C3 (0.58) AKR1C3HTR6KDM2B
Hydrochloric Acid SCHEMBL19640861 0.80 AKR1C3 (0.52) AKR1C3PKMPKLRHTR6
SCHEMBL20682346 0.79 AKR1C3 (0.54) AKR1C3PKMPKLRHTTPSEN1
SCHEMBL19640860 0.78 MBTD1 (0.53) AKR1C3HTR6MMP2

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 45/4885PKM 125/4885PKLR 231/4885
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 45/4885PKM 125/4885PKLR 231/4885

“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.