Sugi Predict

Sugi Predict / Compounds / SCHEMBL8210332

SCHEMBL8210332

SCHEMBL8210332

CCS(=O)(=O)c1ccc([C@@H]2C(=O)N(C)C(=N)N[C@]2(C)c2cccc(C#N)c2)cc1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 3/20 0.34
▸ RORC P51449 4/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ PARG Q86W56 2/20 0.32
▸ POLB P06746 1/20 0.31
▸ PKM P14618 1/20 0.31
▸ BACE2 Q9Y5Z0 1/20 0.31
▸ TRIM24 O15164 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ PGR P06401 1/20 0.30
▸ APLNR P35414 1/20 0.30
▸ CHRM3 P20309 1/20 0.30
▸ BRD4 O60885 1/20 0.30
▸ CCL2 P13500 1/20 0.30

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
SCHEMBL7552395 1.00 BACE1 (0.34) BACE1RORCALDH1A1PARGPOLB
SCHEMBL7584784 0.90 RORC (0.33) BACE1RORCALDH1A1PARG
SCHEMBL7574530 0.88 BACE1 (0.39) BACE1ALDH1A1BACE2PGRCHRM3
SCHEMBL13054721 0.88 BACE1 (0.39) BACE1ALDH1A1BACE2PGRCHRM3
SCHEMBL7548393 0.88 BACE1 (0.34) BACE1ALDH1A1BACE2TRIM24MAPT
SCHEMBL7547861 0.88 BACE1 (0.34) BACE1ALDH1A1BACE2TRIM24MAPT
SCHEMBL13054002 0.88 BACE1 (0.34) BACE1ALDH1A1BACE2TRIM24MAPT
SCHEMBL13054886 0.88 BACE1 (0.34) BACE1ALDH1A1BACE2TRIM24MAPT
SCHEMBL7562877 0.86 ALDH1A1 (0.35) BACE1ALDH1A1POLBPKMBACE2
SCHEMBL13055337 0.86 ALDH1A1 (0.35) BACE1ALDH1A1POLBPKMBACE2

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
WO-2008103351-A2 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS SCHERING CORPORATION (US) 2008-08-28 — — WO 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 8/4885RORC 2929/4885ALDH1A1 4505/4885
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 41/4885RORC 3384/4885ALDH1A1 4571/4885

“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.