SCHEMBL4180459

SCHEMBL4180459

CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCOCC1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 5/20 0.56
PSEN2 P49810 5/20 0.56
APH1B Q8WW43 5/20 0.56
NCSTN Q92542 5/20 0.56
APH1A Q96BI3 5/20 0.56
PSENEN Q9NZ42 5/20 0.56
APP P05067 1/20 0.56
KMT2A Q03164 1/20 0.53
BACE1 P56817 8/20 0.52
KLK5 Q9Y337 1/20 0.49
MAPK1 P28482 1/20 0.48

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
SCHEMBL4180455 1.00 PSEN1 (0.56) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14364747 0.95 PSEN1 (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8893248 0.92 PSEN1 (0.54) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1006593 0.92 PSEN1 (0.54) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8893226 0.88 PSEN1 (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14389899 0.86 PSMB8 (0.44) BACE1
SCHEMBL8893631 0.85 PSEN1 (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8893270 0.85 PSEN1 (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9397295 0.83 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8893043 0.83 PSEN1 (0.51) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7592368-B2 Sulphonamide derivatives as prodrugs of aspartyl protease inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-09-22 US claimed
US-20050148548-A1 Sulphonamide derivatives as prodrugs of aspartyl protease inhibitors VERTEX PHARMACEUTICALS INC. 2005-07-07 US claimed
US-6838474-B2 Sulphonamide derivatives as prodrugs of aspartyl protease inhibitors VERTEX PHARMACEUTICALS, INCORPORATED (US) 2005-01-04 US claimed
US-6559137-B1 Characterized by favorable aqueous solubility, high oral bioavailability and facile in vivo generation of the active ingredient VERTEX PHARMACEUTICALS INCORPORATED 2003-05-06 US claimed

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-20050148548-A1 Sulphonamide derivatives as prodrugs of aspartyl protease inhibitors PRSS1, TMPRSS15, SI PSEN1 196/4885PSEN2 399/4885APH1B 103/4885

“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.