SCHEMBL447140

SCHEMBL447140

CC1(C)Cc2ccc(Br)cc2C2(CCSC(NC(=O)OC(C)(C)C)=N2)C1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 10/20 0.45
CTSD P07339 1/20 0.38
AAK1 Q2M2I8 3/20 0.32
PSMB8 P28062 1/20 0.31
LCK P06239 2/20 0.31
BCL2 P10415 1/20 0.31
FPR3 P25089 1/20 0.31
FPR2 P25090 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
NPC1 O15118 1/20 0.30
RECQL P46063 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL449691 0.89 BACE1 (0.42) BACE1CTSDPSMB8
SCHEMBL450426 0.87 BACE1 (0.45) BACE1CYP3A4CYP2C9
SCHEMBL2566485 0.85 BACE1 (0.36) BACE1CTSDFPR3FPR2
SCHEMBL447872 0.81 BACE1 (0.50) BACE1
SCHEMBL447340 0.80 BACE1 (0.45) BACE1CTSDAAK1BCL2FPR3
SCHEMBL445893 0.80 BACE1 (0.43) BACE1CTSD
SCHEMBL7940166 0.79 BACE1 (0.43) BACE1AAK1PSMB8
SCHEMBL3186920 0.78 BACE1 (0.45) BACE1CTSD
SCHEMBL17004573 0.78 BACE1 (0.43) BACE1AAK1LCK
SCHEMBL17004572 0.78 BACE1 (0.43) BACE1AAK1LCK

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-20120065195-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES ARRAY BIOPHARMA INC. 2012-03-15 US disclosed
US-20120065195-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES ARRAY BIOPHARMA INC. 2012-03-15 US disclosed
WO-2011123674-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES ARRAY BIOPHARMA INC. (US) 2011-10-06 WO disclosed
WO-2011123674-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES ARRAY BIOPHARMA INC. (US) 2011-10-06 WO 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 (1 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-20120065195-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES APP, BACE1, PSEN1 BACE1 2/4885CTSD 427/4885AAK1 1016/4885

“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.