SCHEMBL4365812

SCHEMBL4365812

CCOS(=O)(=O)/C(C)=C/[C@H](C(C)C)N(C)C(=O)[C@@H](NC(=O)[C@@H](NC)C(C)(C)c1ccccc1)C(C)(C)C

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 2/20 0.60
ADAM17 P78536 5/20 0.35
MMP1 P03956 2/20 0.35
STAT6 P42226 3/20 0.33
MMP3 P08254 6/20 0.32
MMP9 P14780 1/20 0.32
MMP8 P22894 1/20 0.32
MMP2 P08253 8/20 0.31

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
SCHEMBL4370348 0.87 TUBB1 (0.63) TUBB1ADAM17MMP1STAT6MMP3
SCHEMBL4371978 0.87 TUBB1 (0.63) TUBB1ADAM17MMP1STAT6MMP3
SCHEMBL58754 0.87 TUBB1 (0.62) TUBB1ADAM17MMP1STAT6MMP3
SCHEMBL14592301 0.87 TUBB1 (0.62) TUBB1ADAM17MMP1STAT6MMP3
SCHEMBL58761 0.87 TUBB1 (0.62) TUBB1ADAM17MMP1STAT6MMP3
SCHEMBL58755 0.87 TUBB1 (0.62) TUBB1ADAM17MMP1STAT6MMP3
SCHEMBL4371526 0.85 TUBB1 (0.54) TUBB1ADAM17MMP1STAT6MMP3
SCHEMBL13682456 0.85 TUBB1 (0.64) TUBB1ADAM17MMP1STAT6MMP3
SCHEMBL57979 0.84 TUBB1 (0.67) TUBB1ADAM17MMP1STAT6MMP3
SCHEMBL58344 0.84 TUBB1 (0.67) TUBB1ADAM17MMP1STAT6MMP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7626023-B2 Compounds for treating tumors WYETH (US) 2009-12-01 US disclosed
US-20080221181-A1 COMPOUNDS FOR TREATING TUMORS WYETH HOLDINGS CORPORATION (US) 2008-09-11 US disclosed
US-7390910-B2 Compounds for treating tumors WYETH (US) 2008-06-24 US disclosed
WO-2005016958-A2 COMPOUNDS FOR TREATING TUMORS WYETH HOLDINGS CORPORATION (US) 2005-02-24 WO disclosed
US-20050037977-A1 Compounds for treating tumors WYETH HOLDINGS CORPORATION (US) 2005-02-17 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 (2 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-20080221181-A1 COMPOUNDS FOR TREATING TUMORS RB1, MRPL9, BCOR TUBB1 588/4885ADAM17 4535/4885MMP1 3418/4885
US-20050037977-A1 Compounds for treating tumors RB1, MRPL9, BCOR TUBB1 588/4885ADAM17 4535/4885MMP1 3418/4885

“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.