SCHEMBL2221604

SCHEMBL2221604

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

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
AKR1C3 P42330 1/20 0.52
EPHX2 P34913 2/20 0.50
HTR2A P28223 1/20 0.48
MMP2 P08253 2/20 0.46
MMP9 P14780 2/20 0.46
MMP14 P50281 1/20 0.45
LIPE Q05469 2/20 0.45
NOD1 Q9Y239 1/20 0.44
EPHX1 P07099 2/20 0.44
PSEN1 P49768 1/20 0.43
PSEN2 P49810 1/20 0.43
APH1B Q8WW43 1/20 0.43
NCSTN Q92542 1/20 0.43
APH1A Q96BI3 1/20 0.43
PSENEN Q9NZ42 1/20 0.43
ACHE P22303 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL2219745 0.79 ACHE (0.54) MEN1KMT2AAKR1C3EPHX2HTR2A
SCHEMBL29460579 0.78 MEN1 (0.62) MEN1KMT2AEPHX2L3MBTL1
SCHEMBL19215178 0.77 MEN1 (0.62) MEN1KMT2AEPHX2HTR2ALIPE
SCHEMBL13201298 0.77 EPHX2 (0.47) MEN1KMT2AAKR1C3EPHX2HTR2A
SCHEMBL25317014 0.77 ALDH1A1 (0.43) KMT2APSEN1PSEN2APH1BNCSTN
SCHEMBL2171815 0.77 EPHX2 (0.61) MEN1KMT2AEPHX2HTR2ALIPE
SCHEMBL18177501 0.76 ALDH1A1 (0.70) MEN1KMT2AEPHX2LIPEL3MBTL1
SCHEMBL2220869 0.76 TRPA1 (0.53) AKR1C3MMP2PSEN1PSEN2APH1B
SCHEMBL20456429 0.76 USP2 (0.65) MEN1KMT2AEPHX2L3MBTL1
SCHEMBL7955680 0.76 MEN1 (0.60) MEN1KMT2AEPHX2LIPEEPHX1

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 MEN1 2563/4885KMT2A 2774/4885AKR1C3 1470/4885

“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.