SCHEMBL5453091

SCHEMBL5453091

CCc1ccc(-c2ccc(C(=O)C3N[C@H](C(=O)N[C@H](C(=O)NO)[C@@H](C)O)Cc4ccccc43)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TAOK1 Q7L7X3 4/20 0.43
TAOK3 Q9H2K8 4/20 0.40
MASP2 O00187 1/20 0.35
F2 P00734 1/20 0.35
OPRM1 P35372 2/20 0.35
OPRK1 P41145 2/20 0.35
OPRD1 P41143 1/20 0.35
MMP9 P14780 1/20 0.34

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
SCHEMBL403351 0.74 TAOK1 (0.46) TAOK1
SCHEMBL12361422 0.74 TAOK1 (0.36) TAOK1TAOK3
SCHEMBL400177 0.72 TAS1R3 (0.50) TAOK1TAOK3
SCHEMBL401432 0.70 TAS1R3 (0.48) TAOK1TAOK3
SCHEMBL436628 0.68 TAOK1 (0.50) TAOK1TAOK3
SCHEMBL404675 0.68 MMP2 (0.44) MMP9
SCHEMBL402605 0.67 MMP2 (0.49) MMP9
SCHEMBL13654267 0.67 MMP2 (0.49) MMP9
SCHEMBL405360 0.67 L3MBTL1 (0.58)
SCHEMBL403002 0.67 TAOK1 (0.61) TAOK1TAOK3

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-20070244197-A1 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2007-10-18 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-20070244197-A1 Antibacterial agents MRPL21, SI, PGLS TAOK1 1470/4885TAOK3 2857/4885MASP2 1785/4885

“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.