SCHEMBL21577575

SCHEMBL21577575

CC(C)[C@H](O)C(=O)N[C@@H](N)C(=O)N[C@@H]1C(=O)N(C)CCc2ccccc21

nearest known ligand 0.81

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 9/20 0.81
PSEN2 P49810 9/20 0.81
APH1B Q8WW43 9/20 0.81
NCSTN Q92542 9/20 0.81
APH1A Q96BI3 9/20 0.81
PSENEN Q9NZ42 9/20 0.81
XIAP P98170 1/20 0.73
SPPL2A Q8TCT8 7/20 0.38
GAA P10253 1/20 0.35
GFER P55789 1/20 0.35
ALDH1A1 P00352 1/20 0.34
CYP2D6 P10635 1/20 0.34

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
Semagacestat SCHEMBL14876852 0.90 PSEN1 (1.00) PSEN1PSEN2APH1BNCSTNAPH1A
Semagacestat SCHEMBL417581 0.90 PSEN1 (1.00) PSEN1PSEN2APH1BNCSTNAPH1A
Semagacestat SCHEMBL12050112 0.90 PSEN1 (1.00) PSEN1PSEN2APH1BNCSTNAPH1A
Semagacestat SCHEMBL29353755 0.90 PSEN1 (1.00) PSEN1PSEN2APH1BNCSTNAPH1A
Semagacestat SCHEMBL13387771 0.90 PSEN1 (1.00) PSEN1PSEN2APH1BNCSTNAPH1A
Semagacestat SCHEMBL1812166 0.89 PSEN1 (0.98) PSEN1PSEN2APH1BNCSTNAPH1A
Semagacestat SCHEMBL30579757 0.89 PSEN1 (0.98) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL15216926 0.85 XIAP (1.00) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4943515 0.85 XIAP (1.00) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL15206725 0.85 XIAP (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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220184109-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF ABERRANT ANGIOGENESIS MASSACHUSETTS EYE AND EAR INFIRMARY 2022-06-16 US disclosed
US-11229662-B2 Compositions and methods for the treatment of aberrant angiogenesis THE SCHEPENS EYE RESEARCH INSTITUTE, INC. (US) 2022-01-25 US disclosed
US-20190350961-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF ABERRANT ANGIOGENESIS MASSACHUSETTS EYE AND EAR INFIRMARY 2019-11-21 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 (3 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-20190350961-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF ABERRANT ANGIOGENESIS VEGFA, PGF, FLT4 PSEN1 1627/4885PSEN2 1043/4885APH1B 1948/4885
US-11229662-B2 Compositions and methods for the treatment of aberrant angiogenesis VEGFA, PGF, FLT4 PSEN1 1627/4885PSEN2 1043/4885APH1B 1948/4885
US-20220184109-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF ABERRANT ANGIOGENESIS VEGFA, PGF, FLT4 PSEN1 1627/4885PSEN2 1043/4885APH1B 1948/4885

“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.