SCHEMBL7049525

SCHEMBL7049525

O=C(O)CCC(=O)NCC(C(=O)NCCC(C(=O)c1nc2ccccc2o1)c1ccccc1)S(=O)(=O)Cc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GART P22102 1/20 0.38
FAAH O00519 1/20 0.37
CES1 P23141 1/20 0.37
DAGLA Q9Y4D2 1/20 0.37
ALDH1A1 P00352 1/20 0.35
CTSS P25774 9/20 0.34
XDH P47989 3/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
KDM4E B2RXH2 1/20 0.33
POLB P06746 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
SCHEMBL6464414 0.90 FAAH (0.38) GARTFAAHCES1DAGLAALDH1A1
SCHEMBL7045927 0.83 CTSS (0.38) ALDH1A1CTSSCYP3A4CYP2C9KDM4E
SCHEMBL7048621 0.82 CTSS (0.35) ALDH1A1CTSSCYP3A4CYP2C9
SCHEMBL6465509 0.82 LMNA (0.46) ALDH1A1CTSSCYP3A4KDM4E
SCHEMBL6466991 0.81 CTSS (0.35) CTSSCYP3A4CYP2C9
SCHEMBL6468432 0.81 GART (0.34) GARTALDH1A1CTSSCYP3A4CYP2C9
SCHEMBL6465159 0.80 FAAH (0.44) GARTFAAHCES1DAGLAALDH1A1
SCHEMBL6464428 0.79 CTSS (0.39) FAAHCES1DAGLACTSSXDH
SCHEMBL7044860 0.79 LMNA (0.44) CTSSCYP3A4CYP2C9KDM4EPOLB
SCHEMBL7049143 0.78 HTT (0.34) CTSSCYP3A4CYP2C9KDM4E

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 GART 2659/4885FAAH 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.