SCHEMBL6805948

SCHEMBL6805948

CCOC(=O)/C(C)=C/[C@H](C(C)C)N(C)C(=O)[C@@H](NC(=O)C(NC)C(C)(C)c1ccc(-c2ccccc2)cc1)C(C)(C)C

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 2/20 0.65
MMP2 P08253 6/20 0.33
MMP3 P08254 4/20 0.33
CTSB P07858 2/20 0.32
MME P08473 2/20 0.32
ACE P12821 2/20 0.32
STAT6 P42226 2/20 0.32
DHODH Q02127 2/20 0.31
CTSL P07711 1/20 0.30
CTSS P25774 1/20 0.30
CTSK P43235 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL6673488 1.00 TUBB1 (0.65) TUBB1MMP2MMP3CTSBMME
SCHEMBL6810104 1.00 TUBB1 (0.65) TUBB1MMP2MMP3CTSBMME
SCHEMBL58344 0.95 TUBB1 (0.67) TUBB1MMP2MMP3CTSBSTAT6
SCHEMBL14186137 0.95 TUBB1 (0.67) TUBB1MMP2MMP3CTSBSTAT6
SCHEMBL14591405 0.95 TUBB1 (0.67) TUBB1MMP2MMP3CTSBSTAT6
SCHEMBL57979 0.95 TUBB1 (0.67) TUBB1MMP2MMP3CTSBSTAT6
SCHEMBL13682076 0.95 TUBB1 (0.67) TUBB1MMP2MMP3CTSBSTAT6
SCHEMBL5980725 0.95 TUBB1 (0.67) TUBB1MMP2MMP3CTSBSTAT6
SCHEMBL57410 0.95 TUBB1 (0.67) TUBB1MMP2MMP3CTSBSTAT6
SCHEMBL58750 0.95 TUBB1 (0.67) TUBB1MMP2MMP3CTSBSTAT6

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 1 patent. 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

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 199/4885MMP2 224/4885MMP3 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.