SCHEMBL7604594

SCHEMBL7604594

CC(C)c1ccc(C2C(=O)N(C)C(=N)N[C@]2(C)c2cc(-c3cncnc3)cs2)cc1

nearest known ligand 0.30

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CTSD P07339 1/20 0.30
BACE1 P56817 1/20 0.30
BACE2 Q9Y5Z0 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
SCHEMBL7548959 1.00 CTSD (0.30) CTSDBACE1BACE2
SCHEMBL7569617 1.00 CTSD (0.30) CTSDBACE1BACE2
SCHEMBL7553641 0.90 DYRK1A (0.34) CTSDBACE1BACE2
SCHEMBL13055270 0.90 DYRK1A (0.34) CTSDBACE1BACE2
SCHEMBL4556679 0.90 BACE1 (0.33) BACE1
SCHEMBL8414307 0.90 BACE1 (0.31) BACE1
SCHEMBL8215914 0.90 BACE1 (0.31) BACE1
SCHEMBL8413836 0.90 BACE1 (0.31) BACE1
SCHEMBL7572143 0.90 BACE1 (0.31) BACE1
SCHEMBL13054355 0.88 ZAP70 (0.31) CTSDBACE1BACE2

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-20120231017-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS PHARMACOPEIA INC. (US) 2012-09-13 US disclosed
US-20120231017-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS PHARMACOPEIA INC. (US) 2012-09-13 US disclosed
US-8183252-B2 Heterocyclic aspartyl protease inhibitors SCHERING CORPORATION (US) 2012-05-22 US disclosed
US-20100292203-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS SCHERING CORPORATION 2010-11-18 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 CTSD 13/4885BACE1 8/4885BACE2 30/4885
US-20120231017-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS BACE1, PRSS1, TMPRSS11D CTSD 8/4885BACE1 1/4885BACE2 29/4885

“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.