SCHEMBL16296105

SCHEMBL16296105

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

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSD P07339 6/20 0.65
LMNA P02545 1/20 0.42
PKM P14618 1/20 0.42
POLB P06746 1/20 0.41
REN P00797 1/20 0.41
MMP8 P22894 2/20 0.41
MMP1 P03956 1/20 0.41
MMP3 P08254 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
SCHEMBL28466043 0.84 CTSD (0.64) CTSDLMNAPKMPOLBREN
SCHEMBL28466047 0.84 CTSD (0.64) CTSDLMNAPKMPOLBREN
SCHEMBL16296386 0.83 CTSD (0.71) CTSDLMNAPKMRENMMP8
Hydrochloric Acid SCHEMBL17764791 0.82 CTSD (0.69) CTSDLMNAPKMRENMMP8
SCHEMBL16296098 0.80 CTSD (0.78) CTSDLMNAPKMREN
SCHEMBL20725223 0.80 CTSD (0.78) CTSDLMNAPKMREN
SCHEMBL20506434 0.80 CTSD (0.78) CTSDLMNAPKMREN
SCHEMBL20506520 0.79 CTSD (0.76) CTSDMMP1MMP3
SCHEMBL20725211 0.79 CTSD (0.76) CTSDMMP1MMP3
SCHEMBL16295137 0.79 CTSD (0.76) CTSDMMP1MMP3

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 8 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 claimed
EP-3008037-B1 HYDROXY-ETHYLENE DERIVATIVES FOR THE TREATMENT OF ARTHROSIS MERCK PATENT GMBH (DE) 2018-09-26 EP claimed
US-20160145297-A1 HYDROXY-ETHYLENE DERIVATIVES FOR THE TREATMENT OF ARTHROSIS MERCK PATENT GMBH (DE) 2016-05-26 US claimed
EP-3008037-A1 HYDROXY-ETHYLENE DERIVATIVES FOR THE TREATMENT OF ARTHROSIS Merck Patent GmbH (DE) 2016-04-20 EP claimed
WO-2014198372-A1 HYDROXY-ETHYLENE DERIVATIVES FOR THE TREATMENT OF ARTHROSIS MERCK PATENT GMBH (DE) 2014-12-18 WO claimed
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

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 1/4885LMNA 2218/4885PKM 2328/4885
US-20160145297-A1 HYDROXY-ETHYLENE DERIVATIVES FOR THE TREATMENT OF ARTHROSIS CTSD, CTSE, CTSB CTSD 1/4885LMNA 2218/4885PKM 2328/4885

“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.