SCHEMBL5041973

SCHEMBL5041973

Cc1ccc(NC(=O)C(CP(=O)(O)C(Cc2ccccc2)NC(=O)OC(C)(C)C)c2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.49
HDAC8 Q9BY41 1/20 0.45
ECE1 P42892 11/20 0.44
MME P08473 10/20 0.44
CTSS P25774 2/20 0.43
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
CTSK P43235 1/20 0.43
MAPK1 P28482 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ATM Q13315 1/20 0.42
MMP8 P22894 1/20 0.42
MMP14 P50281 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL5070528 0.89 ECE1 (0.48) HDAC8ECE1MMECTSSCTSL
SCHEMBL5071371 0.89 ECE1 (0.55) ECE1MME
SCHEMBL5135601 0.89 ECE1 (0.48) HDAC8ECE1MMECTSSCTSL
SCHEMBL5069554 0.87 ECE1 (0.48) HDAC8ECE1MMECTSSCTSL
SCHEMBL5134614 0.87 ECE1 (0.51) HDAC8ECE1MMEMMP8MMP14
SCHEMBL5034257 0.86 ECE1 (0.50) ECE1MMECTSSCTSLCTSB
SCHEMBL5070534 0.79 ECE1 (0.48) ECE1MMECTSSCTSLCTSB
SCHEMBL5070497 0.78 ECE1 (0.49) HDAC8ECE1MMEMMP8MMP14
SCHEMBL6929264 0.78 ACE2 (0.62) ECE1MME
SCHEMBL5034289 0.76 ECE1 (0.53) ECE1MMECTSSCTSLCTSB

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7345082-B2 Phosphinic acids HOFFMANN-LA ROCHE INC. (US) 2008-03-18 US disclosed
EP-1685142-B1 PHOSPHINIC ACID DERIVATIVES, BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE HOFFMANN LA ROCHE (CH) 2008-01-09 EP disclosed
EP-1685142-A1 PHOSPHINIC ACID DERIVATIVES, BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2006-08-02 EP disclosed
WO-2005044830-A1 PHOSPHINIC ACIDS DERIVATIVES, BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER’S DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2005-05-19 WO disclosed
US-20050107341-A1 Phosphinic acids F. HOFFMANN-LA ROCHE AG (CH) 2005-05-19 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 (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-20050107341-A1 Phosphinic acids BACE1, PSEN1, PSEN2 ALDH1A1 1510/4885HDAC8 2609/4885ECE1 585/4885

“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.