SCHEMBL2220755

SCHEMBL2220755

O=S(=O)(c1ccc(Br)c(F)c1)N1C2CCCC1CCC2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
PKM P14618 1/20 0.40
ACHE P22303 6/20 0.40
FKBP5 Q13451 2/20 0.39
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39
PSENEN Q9NZ42 1/20 0.39
AKR1C3 P42330 1/20 0.39
HSD17B10 Q99714 1/20 0.38
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA9 Q16790 2/20 0.37
CA7 P43166 1/20 0.37
KMT2A Q03164 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
MBTD1 Q05BQ5 1/20 0.36

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
SCHEMBL25312484 0.78 MCOLN3 (0.50) ALDH1A1PKMHSD17B10KMT2ATDP1
SCHEMBL29130948 0.78 HSD17B10 (0.57) ALDH1A1PKMHSD17B10POLBMCOLN3
SCHEMBL3024918 0.78 HSD17B10 (0.61) ALDH1A1PKMHSD17B10POLBMCOLN3
SCHEMBL15794013 0.78 KCNH2 (0.40) PKMCA12CA1CA2CA9
SCHEMBL2221744 0.76 ACHE (0.50) ALDH1A1ACHEPSEN1PSEN2APH1B
SCHEMBL2220869 0.76 TRPA1 (0.53) ALDH1A1PKMACHEPSEN1PSEN2
SCHEMBL14501796 0.76 HSD17B10 (0.60) ALDH1A1HSD17B10ATMPOLBMCOLN3
SCHEMBL29859576 0.76 TDO2 (0.49) ALDH1A1PKMAKR1C3HSD17B10POLB
SCHEMBL19989270 0.76 TDO2 (0.49) ALDH1A1PKMAKR1C3HSD17B10POLB
SCHEMBL19989513 0.76 TDO2 (0.49) ALDH1A1PKMAKR1C3HSD17B10POLB

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 ALDH1A1 1431/4885PKM 4405/4885ACHE 17/4885

“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.