SCHEMBL6804595

SCHEMBL6804595

C=Cc1ccc(C(C)(C)[C@@H](C(=O)OC)N(C)C(=O)OC(C)(C)C)cc1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 2/20 0.39
TAS1R1 Q7RTX1 2/20 0.39
MMP13 P45452 1/20 0.31
AAK1 Q2M2I8 1/20 0.31
MIF P14174 1/20 0.30
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL6802285 0.89 ALDH1A1 (0.37) MMP13AAK1MIFKDM4E
SCHEMBL16176663 0.84 AAK1 (0.41) MMP13AAK1
SCHEMBL6805608 0.84 AAK1 (0.41) MMP13AAK1
SCHEMBL88675 0.83 MMP13 (0.40) MMP13AAK1
SCHEMBL57636 0.83 MMP13 (0.40) MMP13AAK1
SCHEMBL16176766 0.82 CHRNB2 (0.40)
SCHEMBL6810467 0.82 NOTUM (0.38) MMP13AAK1
SCHEMBL7066900 0.82 SRD5A2 (0.38) MMP13
SCHEMBL16176767 0.82 CHRNB2 (0.40)
SCHEMBL16183161 0.81 L3MBTL1 (0.39) TAS1R3TAS1R1MMP13AAK1

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-20040121965-A1 Method of treating resistant tumors WYETH HOLDINGS CORPORATION (US) 2004-06-24 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-20040121965-A1 Method of treating resistant tumors SLC11A2, VHL, REN TAS1R3 4477/4885TAS1R1 4317/4885MMP13 293/4885

“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.