SCHEMBL2219745

SCHEMBL2219745

O=S(=O)(c1ccc(C(F)(F)F)cc1)N1C2CCCC1CCC2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.54
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
ALDH1A1 P00352 1/20 0.51
KDM2B Q8NHM5 1/20 0.51
HSD11B1 P28845 5/20 0.50
CYP3A4 P08684 2/20 0.49
AKR1C3 P42330 1/20 0.49
TRPV4 Q9HBA0 1/20 0.49
PSEN1 P49768 1/20 0.48
PSEN2 P49810 1/20 0.48
APH1B Q8WW43 1/20 0.48
NCSTN Q92542 1/20 0.48
APH1A Q96BI3 1/20 0.48
PSENEN Q9NZ42 1/20 0.48
GAA P10253 3/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL19013827 0.82 AKR1C3 (0.55) ACHEMEN1KMT2AALDH1A1HSD11B1
SCHEMBL19640886 0.82 AKR1C3 (0.52) ACHEMEN1KMT2AALDH1A1HSD11B1
SCHEMBL2220869 0.80 TRPA1 (0.53) ACHEALDH1A1KDM2BCYP3A4AKR1C3
SCHEMBL2221604 0.79 MEN1 (0.53) ACHEMEN1KMT2AAKR1C3PSEN1
SCHEMBL2221432 0.77 PSEN1 (0.72) ACHEMEN1KMT2AALDH1A1KDM2B
SCHEMBL2221744 0.77 ACHE (0.50) ACHEMEN1KMT2AALDH1A1AKR1C3
SCHEMBL8327339 0.75 EPHX2 (0.45) ACHEMEN1KMT2AALDH1A1HSD11B1
SCHEMBL2221418 0.75 ACHE (0.49) ACHEMEN1KMT2AHSD11B1AKR1C3
SCHEMBL15009887 0.75 ALDH1A1 (0.77) MEN1KMT2AALDH1A1HSD11B1GAA
SCHEMBL2220964 0.75 PSEN1 (0.70) ACHEMEN1KMT2AALDH1A1AKR1C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110178119-A1 Bridged N-Bicyclic Sulfonamido Inhibitors of Gamma Secretase ELAN PHARMACEUTICALS, INC. (US) 2011-07-21 US claimed
EP-1915371-A2 BRIDGED N-BICYCLIC SULFONAMIDO INHIBITORS OF GAMMA SECRETASE Elan Pharmaceuticals Inc. (US) 2008-04-30 EP claimed
WO-2007024651-A2 BRIDGED N-BICYCLIC SULFONAMIDO INHIBITORS OF GAMMA SECRETASE ELAN PHARMACEUTICALS, INC. (US) 2007-03-01 WO claimed
US-20110178119-A1 Bridged N-Bicyclic Sulfonamido Inhibitors of Gamma Secretase ELAN PHARMACEUTICALS, INC. (US) 2011-07-21 US disclosed
EP-1915371-A2 BRIDGED N-BICYCLIC SULFONAMIDO INHIBITORS OF GAMMA SECRETASE Elan Pharmaceuticals Inc. (US) 2008-04-30 EP disclosed
WO-2007024651-A2 BRIDGED N-BICYCLIC SULFONAMIDO INHIBITORS OF GAMMA SECRETASE ELAN PHARMACEUTICALS, INC. (US) 2007-03-01 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 (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-20110178119-A1 Bridged N-Bicyclic Sulfonamido Inhibitors of Gamma Secretase BACE1, BACE2, PSEN1 ACHE 17/4885MEN1 2563/4885KMT2A 2774/4885

“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.