SCHEMBL6810467

SCHEMBL6810467

COC(=O)[C@@H](N(C)C(=O)OC(C)(C)C)C(C)(C)c1ccc(C(=O)OC(C)(C)C)cc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.38
CA1 P00915 3/20 0.37
CA2 P00918 3/20 0.37
CA12 O43570 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
STAT3 P40763 2/20 0.33
ALOX15 P16050 1/20 0.33
ABCG2 Q9UNQ0 1/20 0.33
ELANE P08246 1/20 0.33
MAPT P10636 1/20 0.32
MMP13 P45452 1/20 0.32
AAK1 Q2M2I8 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
NCOR2 Q9Y618 1/20 0.32

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
SCHEMBL7066900 0.90 SRD5A2 (0.38) NOTUMCA1CA2MAPTMMP13
SCHEMBL6675257 0.87 CA12 (0.39) CA1CA2CA12CA9CA14
SCHEMBL6675259 0.87 CA12 (0.39) CA1CA2CA12CA9CA14
SCHEMBL16183161 0.86 L3MBTL1 (0.39) MMP13AAK1HDAC3HDAC1HDAC2
SCHEMBL16176663 0.86 AAK1 (0.41) NOTUMMAPTMMP13AAK1
SCHEMBL6805608 0.86 AAK1 (0.41) NOTUMMAPTMMP13AAK1
SCHEMBL57636 0.85 MMP13 (0.40) MMP13AAK1HDAC3HDAC1HDAC2
SCHEMBL88675 0.85 MMP13 (0.40) MMP13AAK1HDAC3HDAC1HDAC2
SCHEMBL16176766 0.85 CHRNB2 (0.40)
SCHEMBL16176767 0.85 CHRNB2 (0.40)

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 NOTUM 1236/4885CA1 121/4885CA2 32/4885

“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.