SCHEMBL6463446

SCHEMBL6463446

COC(=O)c1coc(C(O)[C@@H](N)CCc2ccccc2)n1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DAGLA Q9Y4D2 1/20 0.51
METAP2 P50579 6/20 0.44
METAP1 P53582 4/20 0.44
FAAH O00519 2/20 0.43
LNPEP Q9UIQ6 2/20 0.42
ERAP2 Q6P179 1/20 0.40
CES1 P23141 4/20 0.39
MMP2 P08253 1/20 0.39
HDAC1 Q13547 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
KMT2A Q03164 1/20 0.37
NCEH1 Q6PIU2 1/20 0.37

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
SCHEMBL6466167 0.87 CES1 (0.46) DAGLAMETAP2METAP1FAAHERAP2
SCHEMBL2162943 0.81 FAAH (0.64) DAGLAFAAHCES1NCEH1
SCHEMBL6464323 0.80 DAGLA (0.45) DAGLAFAAH
SCHEMBL800520 0.77 DAGLA (0.47) DAGLAMMP2HDAC1HDAC8HDAC6
SCHEMBL6463454 0.76 HDAC1 (0.43) DAGLAFAAHHDAC1HDAC8HDAC6
SCHEMBL7735821 0.75 MAPT (0.47) DAGLAKMT2A
SCHEMBL6062618 0.75 PSMB1 (0.44) DAGLA
SCHEMBL7042158 0.75 DAGLA (0.42) DAGLAKMT2A
SCHEMBL15214456 0.74 DAGLA (0.39) DAGLAHDAC1HDAC8HDAC6
SCHEMBL7732335 0.73 CES1 (0.49) DAGLAMETAP2METAP1FAAHERAP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1516877-A1 Amine derivatives as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2005-03-23 EP disclosed
US-20030232864-A1 Novel Compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2003-12-18 US disclosed
US-6576630-B1 Alkanoyl substituted benzooxazoles or naphthooxazoles AXYS PHARMACEUTICALS, INC. 2003-06-10 US disclosed
EP-1161422-A1 AMINE DERIVATIVES AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2001-12-12 EP disclosed
WO-2000055144-A1 AMINE DERIVATIVES AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2000-09-21 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-20030232864-A1 Novel Compounds and compositions as protease inhibitors SERPINB1, CTRL, CTSZ DAGLA 2304/4885METAP2 244/4885METAP1 136/4885

“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.