SCHEMBL7045895

SCHEMBL7045895

COC(=O)NCC(C(=O)NCCCC(=O)c1nc2ccccc2o1)S(=O)(=O)Cc1c(C)noc1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.38
CES1 P23141 2/20 0.38
DAGLA Q9Y4D2 1/20 0.38
KDM4E B2RXH2 2/20 0.35
MAPT P10636 1/20 0.35
HDAC3 O15379 3/20 0.34
HDAC1 Q13547 3/20 0.34
HDAC6 Q9UBN7 3/20 0.34
NCOR2 Q9Y618 2/20 0.34
HDAC2 Q92769 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALDH1A1 P00352 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33
GLA P06280 1/20 0.33

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
SCHEMBL6465127 0.93 DAGLA (0.42) FAAHCES1DAGLAHDAC3HDAC1
SCHEMBL6462869 0.84 DAGLA (0.52) FAAHCES1DAGLAHDAC3HDAC1
SCHEMBL7047102 0.83 FAAH (0.38) FAAHCES1DAGLAKDM4EMAPT
SCHEMBL7043208 0.81 FAAH (0.41) FAAHCES1DAGLAKDM4EMAPT
SCHEMBL7116658 0.80 FAAH (0.38) FAAHCES1DAGLAKDM4EMAPT
SCHEMBL6468442 0.77 DAGLA (0.55) FAAHCES1DAGLA
SCHEMBL6462832 0.76 DAGLA (0.43) FAAHCES1DAGLAKDM4EMAPT
SCHEMBL7046398 0.72 XDH (0.38) FAAHCES1DAGLAKDM4ERAB9A
SCHEMBL7043175 0.71 DAGLA (0.46) FAAHCES1DAGLAKDM4EALDH1A1
SCHEMBL6466177 0.71 DAGLA (0.44) FAAHCES1DAGLAHDAC3HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 FAAH 479/4885CES1 272/4885DAGLA 2304/4885

“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.