SCHEMBL6701372

SCHEMBL6701372

O=S(=O)(NCC(F)(F)F)NC1C2CCC1Cc1cc(OCCN3CCOCC3)ccc1C2

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 11/20 0.63
PSEN2 P49810 11/20 0.63
APH1B Q8WW43 11/20 0.63
NCSTN Q92542 11/20 0.63
APH1A Q96BI3 11/20 0.63
PSENEN Q9NZ42 11/20 0.63
ABHD6 Q9BV23 1/20 0.45
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPK14 Q16539 2/20 0.41
HRH3 Q9Y5N1 1/20 0.40
HTR1A P08908 1/20 0.40
HTR7 P34969 1/20 0.40
NPC1 O15118 1/20 0.39

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
Hydrochloric Acid SCHEMBL6697715 0.84 PSEN1 (0.66) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14208077 0.78 PSEN1 (0.65) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6112151 0.78 PSEN1 (0.61) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14208071 0.77 PSEN1 (1.00) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6107265 0.73 PSEN1 (0.68) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5071608 0.73 PSEN1 (0.92) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5070782 0.73 PSEN1 (0.55) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6709963 0.72 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6701959 0.68 PSEN1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6709583 0.68 PSEN1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040049038-A1 Sulfamides as gamma-secretase inhibitors MERCK SHARP & DOHME (UK) LIMITED (GB) 2004-03-11 US 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-20040049038-A1 Sulfamides as gamma-secretase inhibitors BACE1, BACE2, PSEN1 PSEN1 3/4885PSEN2 5/4885APH1B 8/4885

“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.