SCHEMBL6671688

SCHEMBL6671688

CN[C@H](C(=O)N[C@H](C(=O)N(C)[C@H](/C=C(\C)CNC(=O)C(F)(F)F)C(C)C)C(C)(C)C)C(C)(C)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 2/20 0.58
MMP13 P45452 2/20 0.32
MMP3 P08254 5/20 0.32
MMP1 P03956 3/20 0.32
ADAM17 P78536 4/20 0.31
STAT6 P42226 2/20 0.31
MMP2 P08253 8/20 0.31
TNF P01375 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
Trifluoroacetic Acid SCHEMBL4372087 0.89 TUBB1 (0.60) TUBB1MMP13MMP3MMP1ADAM17
Trifluoroacetic Acid SCHEMBL4372079 0.89 TUBB1 (0.60) TUBB1MMP13MMP3MMP1ADAM17
SCHEMBL4372660 0.86 TUBB1 (0.64) TUBB1MMP3MMP1ADAM17STAT6
SCHEMBL4862472 0.86 TUBB1 (0.64) TUBB1MMP3MMP1ADAM17STAT6
SCHEMBL88707 0.86 TUBB1 (0.64) TUBB1MMP3MMP1ADAM17STAT6
SCHEMBL58246 0.86 TUBB1 (0.64) TUBB1MMP3MMP1ADAM17STAT6
SCHEMBL13682456 0.86 TUBB1 (0.64) TUBB1MMP3MMP1ADAM17STAT6
SCHEMBL58652 0.86 TUBB1 (0.64) TUBB1MMP3MMP1ADAM17STAT6
SCHEMBL14233306 0.86 TUBB1 (0.64) TUBB1MMP3MMP1ADAM17STAT6
SCHEMBL6674555 0.86 TUBB1 (0.58) TUBB1MMP13MMP3MMP1ADAM17

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 2 patents. 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
WO-2004026293-A2 HEMIASTERLIN DERIVATIVES FOR TREATING RESISTANT TUMORS WYETH HOLDINGS CORPORATION (US) 2004-04-01 WO 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 TUBB1 199/4885MMP13 293/4885MMP3 136/4885

“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.