Sugi Predict

Sugi Predict / Compounds / SCHEMBL8203943

SCHEMBL8203943

SCHEMBL8203943

CC(=O)c1ccc(-c2cccc([C@]3(C)CC(=O)N(C)C(=N)N3)c2)s1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2A6 P11509 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ PGR P06401 1/20 0.36
▸ BACE1 P56817 5/20 0.36
▸ HPGDS O60760 1/20 0.34
▸ FYN P06241 1/20 0.34
▸ HSD17B1 P14061 3/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ GLA P06280 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ PRKDC P78527 1/20 0.33
▸ HDAC6 Q9UBN7 3/20 0.33
▸ HSD17B2 P37059 2/20 0.33
▸ NPC1 O15118 1/20 0.33

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
SCHEMBL13081302 0.86 BACE1 (0.39) PGRBACE1PRKDCWRN
SCHEMBL7600951 0.85 BACE1 (0.37) PGRBACE1HSD17B1HSD17B2WRN
SCHEMBL7603720 0.85 BACE1 (0.35) CYP2A6BACE1WRN
SCHEMBL8192715 0.83 PGR (0.44) PGRBACE1
SCHEMBL8210779 0.80 BACE1 (0.42) BACE1KDM4EMAPT
SCHEMBL7568725 0.79 BACE1 (0.39) CYP3A4CYP2C9BACE1HSD17B1KDM4E
SCHEMBL4559993 0.78 PGR (0.40) PGRBACE1FYNMAPTL3MBTL1
SCHEMBL7536095 0.78 BACE1 (0.42) PGRBACE1
SCHEMBL7573110 0.78 TDP2 (0.40) BACE1
SCHEMBL7563654 0.78 BACE1 (0.43) BACE1

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-20100292203-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS SCHERING CORPORATION 2010-11-18 — — US disclosed
US-7763609-B2 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 (US) 2010-07-27 — — 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 CYP3A4 853/4885CYP2A6 2501/4885CYP2C9 1368/4885
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 CYP3A4 1835/4885CYP2A6 3222/4885CYP2C9 1973/4885

“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.