SCHEMBL6670504

SCHEMBL6670504

CNC(C(=O)NC(C(=O)N(C)C(C=C(C)C(=O)O)CC(C)C)C(C)(C)C)C(C)(C)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 2/20 0.62
ADAM17 P78536 10/20 0.39
MMP1 P03956 6/20 0.39
MMP13 P45452 2/20 0.36
MMP2 P08253 2/20 0.35
MMP3 P08254 2/20 0.35
STAT6 P42226 2/20 0.35
MMP9 P14780 1/20 0.34
MMP8 P22894 1/20 0.34
CTSL P07711 1/20 0.34
CTSB P07858 1/20 0.34
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34

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 SCHEMBL6805156 0.96 TUBB1 (0.58) TUBB1ADAM17MMP1MMP13MMP2
SCHEMBL6806607 0.92 TUBB1 (0.52) TUBB1ADAM17MMP1MMP13MMP2
SCHEMBL13848318 0.90 TUBB1 (0.61) TUBB1ADAM17MMP1MMP2MMP3
SCHEMBL58029 0.90 TUBB1 (0.61) TUBB1ADAM17MMP1MMP2MMP3
SCHEMBL6676288 0.89 TUBB1 (0.51) TUBB1ADAM17MMP1MMP13MMP2
SCHEMBL13682035 0.89 TUBB1 (0.60) TUBB1MMP1MMP2MMP3
SCHEMBL58793 0.89 TUBB1 (0.60) TUBB1MMP1MMP2MMP3
SCHEMBL6674531 0.89 TUBB1 (0.60) TUBB1MMP1MMP13MMP2MMP3
SCHEMBL6674523 0.89 TUBB1 (0.60) TUBB1MMP1MMP13MMP2MMP3
Hydrochloric Acid SCHEMBL6804585 0.88 TUBB1 (0.51) TUBB1ADAM17MMP1MMP13MMP2

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 4 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 claimed
WO-2004026293-A2 HEMIASTERLIN DERIVATIVES FOR TREATING RESISTANT TUMORS WYETH HOLDINGS CORPORATION (US) 2004-04-01 WO claimed
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 199/4885ADAM17 1762/4885MMP1 482/4885

“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.