SCHEMBL7043323

SCHEMBL7043323

O=C(NCC(C(=O)NCCCCCC(=O)c1nc2ccccc2o1)S(=O)(=O)Cc1cccnc1)c1ccncc1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DAGLA Q9Y4D2 10/20 0.47
FAAH O00519 9/20 0.46
CES1 P23141 6/20 0.46
PTAFR P25105 1/20 0.40
HDAC6 Q9UBN7 2/20 0.39
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 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
SCHEMBL6465216 0.84 FAAH (0.39) DAGLAFAAHCES1HDAC6CYP1A2
SCHEMBL6468442 0.82 DAGLA (0.55) DAGLAFAAHCES1
SCHEMBL7048391 0.80 FAAH (0.40) DAGLAFAAHCES1HDAC6
SCHEMBL6462869 0.79 DAGLA (0.52) DAGLAFAAHCES1HDAC6
SCHEMBL6463188 0.76 DAGLA (0.48) DAGLAFAAHCES1
SCHEMBL7045524 0.75 DAGLA (0.48) DAGLAFAAHCES1
SCHEMBL6467366 0.75 DAGLA (0.47) DAGLAFAAHCES1
SCHEMBL6062463 0.75 DAGLA (0.42) DAGLAFAAHCES1
SCHEMBL6062834 0.74 DAGLA (0.56) DAGLAFAAHCES1
SCHEMBL7044860 0.74 LMNA (0.44) CYP1A2CYP2C9CYP2C19

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

“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.