SCHEMBL5021056

SCHEMBL5021056

COP(=O)(CC(=O)[C@H](CC(C)C)N(Cc1ccccc1)Cc1ccccc1)OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 6/20 0.48
MMP3 P08254 5/20 0.48
MMP9 P14780 3/20 0.46
MMP2 P08253 2/20 0.46
MMP8 P22894 2/20 0.46
MMP7 P09237 2/20 0.46
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
EPOR P19235 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
MMP13 P45452 1/20 0.36
HPGD P15428 1/20 0.36
LAP3 P28838 1/20 0.36
LPAR1 Q92633 1/20 0.35
LPAR5 Q9H1C0 1/20 0.35

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
SCHEMBL2306952 1.00 MMP1 (0.48) MMP1MMP3MMP9MMP2MMP8
SCHEMBL16847453 0.82 MMP1 (0.41) MMP1MMP3MMP9MMP2MMP8
SCHEMBL2306959 0.81 MMP1 (0.46) MMP1MMP3MMP9MMP2MMP8
SCHEMBL55668 0.78 EPOR (0.52) MMP1MMP3MMP9MMP2MMP8
SCHEMBL56847 0.78 EPOR (0.52) MMP1MMP3MMP9MMP2MMP8
SCHEMBL55669 0.78 EPOR (0.52) MMP1MMP3MMP9MMP2MMP8
SCHEMBL9329102 0.77 MMP1 (0.52) MMP1MMP3MMP9MMP2MMP8
SCHEMBL9709399 0.77 MMP1 (0.50) MMP1MMP3MMP9MMP2MMP8
SCHEMBL15650703 0.75 MMP1 (0.50) MMP1MMP3MMP9MMP2MMP8
SCHEMBL15650705 0.75 MMP1 (0.50) MMP1MMP3MMP9MMP2MMP8

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-8536362-B2 β-hydroxy-γ-aminophosphonates and methods for the preparation and use thereof NUCITEC S.A. DE C.V. (MX) 2013-09-17 US disclosed
US-20130079308-A1 Beta-Hydroxy-Gamma-Aminophosphonates and Methods for the Preparation and Use Thereof NUCITEC S.A. DE C.V. (MX) 2013-03-28 US disclosed
US-8178515-B2 β-hydroxy-γ-aminophosphonates and methods for the preparation and use thereof NUCITEC S.A. DE C.V. (MX) 2012-05-15 US disclosed
US-20100087400-A1 Beta-Hydroxy-Gamma-Aminophosphonates and Methods for the Preparation and Use Thereof NUCITEC S.A. DE C.V. (MX) 2010-04-08 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-20130079308-A1 Beta-Hydroxy-Gamma-Aminophosphonates and Methods for the Preparation and Use Thereof CPT1A, ACAT1, ABAT MMP1 1855/4885MMP3 3216/4885MMP9 2345/4885
US-20100087400-A1 Beta-Hydroxy-Gamma-Aminophosphonates and Methods for the Preparation and Use Thereof CPT1A, ACAT1, ABAT MMP1 1855/4885MMP3 3216/4885MMP9 2345/4885

“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.