SCHEMBL6674555

SCHEMBL6674555

CN[C@H](C(=O)N[C@H](C(=O)N(C)[C@H](/C=C(\C)CN(C)C(=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 10)

geneUniProtsupporting neighboursconfidence
▸ TUBB1 Q9H4B7 2/20 0.58
▸ MMP13 P45452 2/20 0.32
▸ ADAM17 P78536 4/20 0.31
▸ MMP1 P03956 3/20 0.31
▸ STAT6 P42226 3/20 0.31
▸ MMP2 P08253 8/20 0.31
▸ MMP3 P08254 5/20 0.30
▸ TNF P01375 1/20 0.30
▸ MMP9 P14780 1/20 0.30
▸ MMP8 P22894 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) TUBB1MMP13ADAM17MMP1STAT6
Trifluoroacetic Acid SCHEMBL4372079 0.89 TUBB1 (0.60) TUBB1MMP13ADAM17MMP1STAT6
SCHEMBL4862472 0.86 TUBB1 (0.64) TUBB1ADAM17MMP1STAT6MMP2
SCHEMBL14233306 0.86 TUBB1 (0.64) TUBB1ADAM17MMP1STAT6MMP2
SCHEMBL58246 0.86 TUBB1 (0.64) TUBB1ADAM17MMP1STAT6MMP2
SCHEMBL13682456 0.86 TUBB1 (0.64) TUBB1ADAM17MMP1STAT6MMP2
SCHEMBL4372660 0.86 TUBB1 (0.64) TUBB1ADAM17MMP1STAT6MMP2
SCHEMBL88707 0.86 TUBB1 (0.64) TUBB1ADAM17MMP1STAT6MMP2
SCHEMBL58652 0.86 TUBB1 (0.64) TUBB1ADAM17MMP1STAT6MMP2
SCHEMBL6671688 0.86 TUBB1 (0.58) TUBB1MMP13ADAM17MMP1STAT6

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 293/4885ADAM17 1762/4885

“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.

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