SCHEMBL8227146

SCHEMBL8227146

CCCCCCCCCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CC(N)=O)C(=O)Oc1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
HCRTR1 O43613 1/20 0.53
MMP8 P22894 9/20 0.52
MMP2 P08253 8/20 0.52
MMP9 P14780 6/20 0.52
MMP1 P03956 4/20 0.49
HDAC3 O15379 3/20 0.49
HDAC4 P56524 3/20 0.49
HDAC1 Q13547 3/20 0.49
HDAC7 Q8WUI4 3/20 0.49
HDAC2 Q92769 3/20 0.49
HDAC10 Q969S8 3/20 0.49
HDAC11 Q96DB2 3/20 0.49
HDAC8 Q9BY41 3/20 0.49
HDAC6 Q9UBN7 3/20 0.49
HDAC9 Q9UKV0 3/20 0.49
HDAC5 Q9UQL6 3/20 0.49
MMP7 P09237 1/20 0.49
CCKBR P32239 1/20 0.49

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
SCHEMBL8229466 1.00 MEN1 (0.53) MEN1KMT2AHCRTR1MMP8MMP2
SCHEMBL8221855 1.00 MEN1 (0.53) MEN1KMT2AHCRTR1MMP8MMP2
SCHEMBL8221846 1.00 MEN1 (0.53) MEN1KMT2AHCRTR1MMP8MMP2
SCHEMBL8229351 0.93 MEN1 (0.54) MEN1KMT2AHCRTR1MMP8MMP2
SCHEMBL8422131 0.90 MMP9 (0.52) MEN1KMT2AHCRTR1MMP8MMP2
SCHEMBL8418339 0.90 MMP9 (0.52) MEN1KMT2AHCRTR1MMP8MMP2
SCHEMBL8357063 0.90 MMP8 (0.53) MMP8MMP2MMP9MMP1MMP7
SCHEMBL8354508 0.90 MMP8 (0.53) MMP8MMP2MMP9MMP1MMP7
SCHEMBL8227027 0.87 MMP2 (0.57) MEN1KMT2AHCRTR1MMP8MMP2
SCHEMBL17253329 0.87 MMP8 (0.57) MEN1KMT2AHCRTR1MMP8MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7335726-B2 Lipopeptide stereoisomers, methods for preparing same and useful intermediates CUBIST PHARMACEUTICALS, INC. (US) 2008-02-26 US disclosed
US-7262268-B2 Lipopeptide stereoisomers, methods for preparing same, and useful intermediates CUBIST PHARMACEUTICALS, INC. (US) 2007-08-28 US disclosed
US-20060223983-A1 Lipopeptide stereoisomers, methods for preparing same and useful intermediates CUBIST PHARMACEUTICALS, INC. 2006-10-05 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-20060223983-A1 Lipopeptide stereoisomers, methods for preparing same and useful intermediates NGLY1, LSS, NRDC MEN1 1499/4885KMT2A 4489/4885HCRTR1 4550/4885

“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.