SCHEMBL6445121

SCHEMBL6445121

COc1ccc(COc2ccc(CN(CC(O)C(Cc3ccccc3)NC(=O)[C@@H](NC(=O)N(C)C)C(C)C)NC(=O)[C@@H](NC(=O)N(C)C)C(C)C)cc2)cc1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSD P07339 5/20 0.47
CTSE P14091 1/20 0.47
PGC P20142 1/20 0.47
MLNR O43193 1/20 0.46
NR1I2 O75469 1/20 0.46
SLCO2B1 O94956 1/20 0.46
ABCB11 O95342 1/20 0.46
ABCB1 P08183 1/20 0.46
UGT1A1 P22309 1/20 0.46
CCKAR P32238 1/20 0.46
OPRK1 P41145 1/20 0.46
GHSR Q92847 1/20 0.46
SLCO1B3 Q9NPD5 1/20 0.46
ABCG2 Q9UNQ0 1/20 0.46
SLCO1B1 Q9Y6L6 1/20 0.46
PSMB11 A5LHX3 1/20 0.43
PSMA7 O14818 1/20 0.43
PSMB1 P20618 1/20 0.43
PSMA1 P25786 1/20 0.43
PSMA2 P25787 1/20 0.43

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
SCHEMBL6445117 1.00 CTSD (0.47) CTSDCTSEPGCMLNRNR1I2
SCHEMBL6443968 0.92 UGT1A1 (0.52) CTSDCTSEPGCMLNRNR1I2
SCHEMBL6443972 0.92 UGT1A1 (0.52) CTSDCTSEPGCMLNRNR1I2
SCHEMBL6444841 0.92 CTSD (0.56) CTSDCTSEPGCMLNRNR1I2
SCHEMBL6444845 0.92 CTSD (0.56) CTSDCTSEPGCMLNRNR1I2
SCHEMBL6446055 0.92 CTSD (0.52) CTSDCTSEPGCMLNRNR1I2
SCHEMBL6446053 0.92 CTSD (0.52) CTSDCTSEPGCMLNRNR1I2
SCHEMBL6444558 0.91 CTSD (0.53) CTSDCTSEPGCMLNRNR1I2
SCHEMBL6444560 0.91 CTSD (0.53) CTSDCTSEPGCMLNRNR1I2
SCHEMBL6447948 0.90 CTSD (0.47) CTSDCTSEPGCMLNRNR1I2

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-20050130941-A1 Methods of treating alzheimer's disease PHARMACIA & UPJOHN COMPANY LLC 2005-06-16 US claimed
US-20050130941-A1 Methods of treating alzheimer's disease PHARMACIA & UPJOHN COMPANY LLC 2005-06-16 US disclosed
EP-0604368-A1 Anti retroviral hydrazine derivatives CIBA-GEIGY AG (CH) 1994-06-29 EP 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-20050130941-A1 Methods of treating alzheimer's disease BACE1, PSEN1, BACE2 CTSD 110/4885CTSE 62/4885PGC 1918/4885

“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.