SCHEMBL7744117

SCHEMBL7744117

CC(C)CN([C@H]1CCCCNC1=O)S(=O)(=O)c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 20/20 0.66
PSEN2 P49810 20/20 0.66
APH1B Q8WW43 20/20 0.66
NCSTN Q92542 20/20 0.66
APH1A Q96BI3 20/20 0.66
PSENEN Q9NZ42 20/20 0.66

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
SCHEMBL5525825 0.88 PSEN1 (0.84) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2779796 0.88 PSEN1 (0.67) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7094607 0.88 PSEN1 (0.67) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5516738 0.88 PSEN1 (0.84) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2782997 0.86 PSEN1 (0.67) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8251763 0.83 PSEN1 (0.60) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5519609 0.81 PSEN1 (0.74) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5515503 0.80 PSEN1 (0.67) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5525821 0.80 PSEN1 (1.00) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5528650 0.80 PSEN1 (1.00) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8742158-B2 Protease inhibitors TaiMed Biologies, Inc. (TW) 2014-06-03 US disclosed
US-20130158261-A1 PROTEASE INHIBITORS TAIMED BIOLOGICS, INC. (TW) 2013-06-20 US disclosed
US-8410300-B2 Protease inhibitors TAIMED BIOLOGICS, INC. (TW) 2013-04-02 US disclosed
US-20100184974-A1 Protease Inhibitors AMBRILIA BIOPHARMA INC. (CA) 2010-07-22 US disclosed
US-6632816-B1 Aromatic derivatives as HIV aspartyl protease inhibitors PHARMACOR INC. (CA) 2003-10-14 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 (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-20100184974-A1 Protease Inhibitors PREP, CTRL, CTRB1 PSEN1 461/4885PSEN2 423/4885APH1B 1640/4885
US-20130158261-A1 PROTEASE INHIBITORS PREP, CTRL, CTRB1 PSEN1 461/4885PSEN2 423/4885APH1B 1640/4885

“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.