SCHEMBL6809674

SCHEMBL6809674

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

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 2/20 0.62
ADAMTS4 O75173 1/20 0.36
ADAMTS5 Q9UNA0 1/20 0.36
TDP1 Q9NUW8 1/20 0.34
LMNA P02545 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MMP2 P08253 5/20 0.31
MMP3 P08254 4/20 0.31
MMP1 P03956 2/20 0.31
MMP8 P22894 2/20 0.31
HDAC1 Q13547 1/20 0.31
ABL1 P00519 1/20 0.31
SRC P12931 1/20 0.31
MMP13 P45452 1/20 0.31
FOLH1 Q04609 1/20 0.31
MMP9 P14780 1/20 0.31
CCKBR P32239 1/20 0.31
CASP1 P29466 1/20 0.30
CASP3 P42574 1/20 0.30
CASP7 P55210 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
SCHEMBL6804948 0.92 TUBB1 (0.63) TUBB1MMP2MMP3MMP1HDAC1
SCHEMBL6675810 0.90 TUBB1 (0.61) TUBB1MMP2MMP3MMP1MMP8
SCHEMBL6675817 0.90 TUBB1 (0.61) TUBB1MMP2MMP3MMP1MMP8
SCHEMBL6810366 0.90 TUBB1 (0.65) TUBB1MMP2MMP3MMP13
Hydrochloric Acid SCHEMBL6670866 0.90 TUBB1 (0.60) TUBB1MMP2MMP3MMP1MMP8
Hydrochloric Acid SCHEMBL6670873 0.90 TUBB1 (0.60) TUBB1MMP2MMP3MMP1MMP8
SCHEMBL6804951 0.89 TUBB1 (0.64) TUBB1MMP1
SCHEMBL6670636 0.88 TUBB1 (0.63) TUBB1MMP2MMP3MMP1MMP8
SCHEMBL6670644 0.88 TUBB1 (0.63) TUBB1MMP2MMP3MMP1MMP8
Trifluoroacetic Acid SCHEMBL6806174 0.88 TUBB1 (0.58) TUBB1MMP2MMP3MMP1HDAC1

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 claimed
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 TUBB1 199/4885ADAMTS4 493/4885ADAMTS5 156/4885

“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.