SCHEMBL7045927

SCHEMBL7045927

O=C(c1nc2ccccc2o1)C(CCNC(=O)C(CNC(=O)N1CCOCC1)S(=O)(=O)Cc1ccccc1)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSS P25774 11/20 0.38
LIPC P11150 2/20 0.37
LIPG Q9Y5X9 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HTT P42858 1/20 0.36
EPHX2 P34913 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
USP2 O75604 1/20 0.35
MAPK1 P28482 1/20 0.35
BRCA1 P38398 1/20 0.35

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
SCHEMBL7048621 0.92 CTSS (0.35) CTSSALDH1A1HTTEPHX2CYP3A4
SCHEMBL6468767 0.91 CTSS (0.36) CTSSKDM4EALDH1A1CYP3A4CYP2C9
SCHEMBL6467381 0.91 CTSS (0.36) CTSSKDM4EMEN1KMT2AALDH1A1
SCHEMBL7044831 0.91 CTSS (0.36) CTSSKDM4EALDH1A1CYP3A4CYP2C9
SCHEMBL7187232 0.90 CTSS (0.38) CTSSLIPCLIPGKDM4EMEN1
SCHEMBL6467525 0.89 CTSS (0.35) CTSSKDM4EMEN1KMT2AALDH1A1
SCHEMBL6464414 0.87 FAAH (0.38) CTSSALDH1A1CYP3A4CYP2C9
SCHEMBL7043175 0.86 DAGLA (0.46) CTSSLIPCLIPGKDM4EMEN1
SCHEMBL6467366 0.85 DAGLA (0.47) LIPCLIPGKDM4EMEN1KMT2A
SCHEMBL6463188 0.84 DAGLA (0.48) LIPCLIPGKDM4EMEN1KMT2A

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 CTSS 9/4885LIPC 644/4885LIPG 372/4885

“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.