SCHEMBL4413477

SCHEMBL4413477

CC(C)(C)OC(=O)NN(C=O)c1ccc(CN)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 3/20 0.40
KCNQ4 P56696 3/20 0.39
KCNQ5 Q9NR82 3/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.39
CTSL P07711 2/20 0.37
CTSB P07858 2/20 0.37
CTSS P25774 2/20 0.37
NR1H2 P55055 1/20 0.36
ACACB O00763 1/20 0.36
ACACA Q13085 1/20 0.36
GAA P10253 1/20 0.34
CYP17A1 P05093 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ANPEP P15144 1/20 0.34
ERAP2 Q6P179 1/20 0.34
CA12 O43570 1/20 0.34

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
SCHEMBL99337 0.72 TPSAB1 (0.56) LOXL2GAAL3MBTL1CA1
SCHEMBL34480 0.72 CYP17A1 (0.59) LOXL2CYP17A1KLKB1
Hydrochloric Acid SCHEMBL7420599 0.71 CYP17A1 (0.58) LOXL2CYP17A1KLKB1
SCHEMBL12219494 0.71 LOXL2 (0.41) KCNQ4KCNQ5KDM4ELOXL2NR1H2
SCHEMBL16856539 0.71 PAX8 (0.49) KDM4ERAB9ALOXL2NR1H2GAA
SCHEMBL23449213 0.70 CA2 (0.58) MAPTCA12CA1
SCHEMBL7344990 0.70 GAA (0.44) NPC1RAB9ALOXL2NR1H2GAA
SCHEMBL9726433 0.70 HDAC3 (0.53) LOXL2NR1H2ACACBACACACA12
SCHEMBL5731726 0.69 CYP4Z1 (0.44) NPC1MAPTRAB9ALOXL2NR1H2
SCHEMBL5731731 0.69 CYP4Z1 (0.44) NPC1MAPTRAB9ALOXL2NR1H2

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
EP-1691845-A4 COMPOUNDS CONTAINING MATRIX METALLOPROTEINASE SUBSTRATES AND METHODS OF THEIR USE BRISTOL MYERS SQUIBB PHARMA CO (US) 2009-02-25 EP disclosed
EP-1691845-A1 COMPOUNDS CONTAINING MATRIX METALLOPROTEINASE SUBSTRATES AND METHODS OF THEIR USE Bristol-Myers Squibb Pharma Company (US) 2006-08-23 EP disclosed
US-20050106100-A1 Compounds containing matrix metalloproteinase substrates and methods of their use LANTHEUS MEDICAL IMAGING, INC. 2005-05-19 US disclosed
WO-2005023314-A1 COMPOUNDS CONTAINING MATRIX METALLOPROTEINASE SUBSTRATES AND METHODS OF THEIR USE BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-03-17 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 (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-20050106100-A1 Compounds containing matrix metalloproteinase substrates and methods of their use MMP1, MMP10, MMP8 AKT1 4161/4885KCNQ4 4761/4885KCNQ5 4567/4885

“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.