SCHEMBL16296386

SCHEMBL16296386

CC(C)[C@H](N)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CCC(=O)NCCc1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSD P07339 5/20 0.71
BACE1 P56817 1/20 0.47
LMNA P02545 1/20 0.46
PKM P14618 1/20 0.46
MMP1 P03956 1/20 0.44
MMP3 P08254 1/20 0.44
MMP8 P22894 1/20 0.44
REN P00797 1/20 0.44
KMT2A Q03164 1/20 0.43
ANPEP P15144 1/20 0.43
LAP3 P28838 1/20 0.43
RNPEP Q9H4A4 1/20 0.43
DNPEP Q9ULA0 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
Hydrochloric Acid SCHEMBL17764791 0.99 CTSD (0.69) CTSDBACE1LMNAPKMMMP1
SCHEMBL20506434 0.84 CTSD (0.78) CTSDLMNAPKMREN
SCHEMBL20725223 0.84 CTSD (0.78) CTSDLMNAPKMREN
SCHEMBL16296098 0.84 CTSD (0.78) CTSDLMNAPKMREN
SCHEMBL20725232 0.83 CTSD (0.79) CTSDBACE1REN
SCHEMBL20506526 0.83 CTSD (1.00) CTSDBACE1REN
SCHEMBL16296106 0.83 CTSD (1.00) CTSDBACE1REN
SCHEMBL16296105 0.83 CTSD (0.65) CTSDLMNAPKMMMP1MMP3
SCHEMBL28466047 0.82 CTSD (0.64) CTSDLMNAPKMMMP1MMP3
SCHEMBL28466043 0.82 CTSD (0.64) CTSDLMNAPKMMMP1MMP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10202418-B2 Hydroxy-ethylene derivatives for the treatment of arthrosis MERCK PATENT GMBH (DE) 2019-02-12 US disclosed
EP-3008037-B1 HYDROXY-ETHYLENE DERIVATIVES FOR THE TREATMENT OF ARTHROSIS MERCK PATENT GMBH (DE) 2018-09-26 EP disclosed
US-20160145297-A1 HYDROXY-ETHYLENE DERIVATIVES FOR THE TREATMENT OF ARTHROSIS MERCK PATENT GMBH (DE) 2016-05-26 US disclosed
EP-3008037-A1 HYDROXY-ETHYLENE DERIVATIVES FOR THE TREATMENT OF ARTHROSIS Merck Patent GmbH (DE) 2016-04-20 EP disclosed
WO-2014198372-A1 HYDROXY-ETHYLENE DERIVATIVES FOR THE TREATMENT OF ARTHROSIS MERCK PATENT GMBH (DE) 2014-12-18 WO disclosed
WO-2014198372-A1 HYDROXY-ETHYLENE DERIVATIVES FOR THE TREATMENT OF ARTHROSIS MERCK PATENT GMBH (DE) 2014-12-18 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 (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-10202418-B2 Hydroxy-ethylene derivatives for the treatment of arthrosis CTSD, CTSE, CTSB CTSD 1/4885BACE1 1180/4885LMNA 2218/4885
US-20160145297-A1 HYDROXY-ETHYLENE DERIVATIVES FOR THE TREATMENT OF ARTHROSIS CTSD, CTSE, CTSB CTSD 1/4885BACE1 1180/4885LMNA 2218/4885

“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.