SCHEMBL6804948

SCHEMBL6804948

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

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 2/20 0.63
MME P08473 2/20 0.35
MMP2 P08253 7/20 0.32
MMP3 P08254 6/20 0.32
MMP1 P03956 1/20 0.32
HDAC3 O15379 2/20 0.31
HDAC4 P56524 2/20 0.31
HDAC1 Q13547 2/20 0.31
HDAC2 Q92769 2/20 0.31
HDAC8 Q9BY41 2/20 0.31
STAT6 P42226 1/20 0.31
CTSK P43235 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 SCHEMBL6806174 0.96 TUBB1 (0.58) TUBB1MMEMMP2MMP3MMP1
SCHEMBL6810366 0.93 TUBB1 (0.65) TUBB1MMEMMP2MMP3STAT6
SCHEMBL6809674 0.92 TUBB1 (0.62) TUBB1MMP2MMP3MMP1HDAC1
SCHEMBL6675810 0.91 TUBB1 (0.61) TUBB1MMP2MMP3MMP1CTSK
SCHEMBL6675817 0.91 TUBB1 (0.61) TUBB1MMP2MMP3MMP1CTSK
Hydrochloric Acid SCHEMBL6670866 0.90 TUBB1 (0.60) TUBB1MMP2MMP3MMP1CTSK
Hydrochloric Acid SCHEMBL6670873 0.90 TUBB1 (0.60) TUBB1MMP2MMP3MMP1CTSK
SCHEMBL6804951 0.90 TUBB1 (0.64) TUBB1MMEMMP1CTSK
SCHEMBL6670636 0.89 TUBB1 (0.63) TUBB1MMEMMP2MMP3MMP1
SCHEMBL6670644 0.89 TUBB1 (0.63) TUBB1MMEMMP2MMP3MMP1

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 199/4885MME 127/4885MMP2 224/4885

“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.