Sugi Predict

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SCHEMBL8211797

SCHEMBL8211797

CN1C(=N)N[C@](C)(c2cccc(-c3cc(C#N)cc(C#N)c3)c2)[C@H](c2ccc(C3CC3)cc2)C1=O

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 10/20 0.40
▸ BACE2 Q9Y5Z0 3/20 0.40
▸ CTSD P07339 2/20 0.34
▸ PGR P06401 3/20 0.34
▸ TNKS O95271 3/20 0.33
▸ MAP4K1 Q92918 1/20 0.33
▸ FASN P49327 1/20 0.31
▸ PAX8 Q06710 1/20 0.31
▸ AR P10275 1/20 0.31
▸ CBL P22681 1/20 0.31
▸ CBLB Q13191 1/20 0.31

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
SCHEMBL7558496 1.00 BACE1 (0.40) BACE1BACE2CTSDPGRTNKS
SCHEMBL12174164 0.95 BACE1 (0.44) BACE1BACE2CTSDPGRMAP4K1
SCHEMBL13054227 0.95 BACE1 (0.44) BACE1BACE2CTSDPGRMAP4K1
SCHEMBL7559867 0.95 BACE1 (0.44) BACE1BACE2CTSDPGRMAP4K1
SCHEMBL13054166 0.94 PGR (0.39) BACE1BACE2PGRAR
SCHEMBL7571041 0.94 PGR (0.39) BACE1BACE2PGRAR
SCHEMBL7549001 0.90 BACE1 (0.37) BACE1BACE2PGRTNKS
SCHEMBL7575500 0.90 BACE1 (0.37) BACE1BACE2PGRTNKS
SCHEMBL7601952 0.86 PGR (0.36) BACE1BACE2PGRAR
SCHEMBL8204909 0.86 PGR (0.36) BACE1BACE2PGRAR

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-20100292203-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS SCHERING CORPORATION 2010-11-18 — — US disclosed
US-20100292203-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS SCHERING CORPORATION 2010-11-18 — — US disclosed
US-20080200445-A1 Use in treatment of cardiovascular diseases, cognitive and neurodegenerative diseases, inhibitors of Human Immunodeficiency Virus, plasmepsins, cathepsin D and protozoal enzymes; 4-imidazolidinone, 5-(3'-chloro[1,1'-biphenyl]-3-yl)-5-cyclopropyl-2-imino-3-(2,2,2-trifluoroethyl)-, for example SCHERING CORPORATION & PHARMACOPEIA DRUG DISCOVERY, INC. 2008-08-21 — — US disclosed
US-20080200445-A1 Use in treatment of cardiovascular diseases, cognitive and neurodegenerative diseases, inhibitors of Human Immunodeficiency Virus, plasmepsins, cathepsin D and protozoal enzymes; 4-imidazolidinone, 5-(3'-chloro[1,1'-biphenyl]-3-yl)-5-cyclopropyl-2-imino-3-(2,2,2-trifluoroethyl)-, for example SCHERING CORPORATION & PHARMACOPEIA DRUG DISCOVERY, INC. 2008-08-21 — — 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 (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-20100292203-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS CHRM1, CHRM2, PRSS1 BACE1 8/4885BACE2 30/4885CTSD 13/4885
US-20080200445-A1 Use in treatment of cardiovascular diseases, cognitive and neurodegenerative diseases, inhibitors of Human Immunodeficiency Virus, plasmepsins, cathepsin D and protozoal enzymes; 4-imidazolidinone, 5-(3'-chloro[1,1'-biphenyl]-3-yl)-5-cyclopropyl-2-imino-3-(2,2,2-trifluoroethyl)-, for example CTSZ, CTSL, PRSS1 BACE1 41/4885BACE2 48/4885CTSD 6/4885

“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.