SCHEMBL6468436

SCHEMBL6468436

CCC[C@H](NC(=O)N(CCS(=O)(=O)Cc1ccccc1)C(=O)O)C(=O)c1nc2ccccc2o1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSS P25774 18/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
XDH P47989 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL6464424 0.94 CTSS (0.43) CTSSCYP3A4CYP2C9XDHALDH1A1
SCHEMBL6462867 0.93 CTSS (0.41) CTSSCYP3A4CYP2C9XDHALDH1A1
SCHEMBL6464410 0.92 FAAH (0.42) CTSSCYP3A4CYP2C9ALDH1A1
SCHEMBL6462828 0.88 CTSS (0.41) CTSSCYP3A4CYP2C9XDH
SCHEMBL7046394 0.87 CTSS (0.40) CTSSCYP3A4CYP2C9XDHALDH1A1
SCHEMBL6466173 0.82 CTSS (0.39) CTSSCYP3A4CYP2C9
SCHEMBL7043205 0.81 CTSS (0.39) CTSSCYP3A4CYP2C9XDH
SCHEMBL5413826 0.81 CTSS (0.46) CTSSCYP3A4CYP2C9
SCHEMBL6465121 0.80 CTSS (0.45) CTSSCYP3A4CYP2C9
SCHEMBL6678152 0.80 CTSS (0.42) CTSSCYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050085465-A1 Angiogenesis inhibitor; antiarthritic agents; psoriasis; anticancer agents ASTRAZENECA AB (SE) 2005-04-21 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-20050085465-A1 Angiogenesis inhibitor; antiarthritic agents; psoriasis; anticancer agents VEGFA, FLT4, FLT1 CTSS 3840/4885CYP3A4 1600/4885CYP2C9 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.