SCHEMBL4365752

SCHEMBL4365752

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

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 2/20 0.65
STAT6 P42226 2/20 0.35
MMP2 P08253 11/20 0.32
MMP3 P08254 4/20 0.32
ADAM17 P78536 3/20 0.32
MMP1 P03956 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL4376184 1.00 TUBB1 (0.65) TUBB1STAT6MMP2MMP3ADAM17
SCHEMBL4365759 1.00 TUBB1 (0.65) TUBB1STAT6MMP2MMP3ADAM17
SCHEMBL4376190 1.00 TUBB1 (0.65) TUBB1STAT6MMP2MMP3ADAM17
SCHEMBL4369800 1.00 TUBB1 (0.65) TUBB1STAT6MMP2MMP3ADAM17
SCHEMBL4369806 1.00 TUBB1 (0.65) TUBB1STAT6MMP2MMP3ADAM17
SCHEMBL4370500 0.91 TUBB1 (0.66) TUBB1STAT6MMP2MMP3ADAM17
SCHEMBL4370507 0.91 TUBB1 (0.66) TUBB1STAT6MMP2MMP3ADAM17
Taltobulin SCHEMBL16176425 0.89 TUBB1 (0.81) TUBB1STAT6MMP2MMP3ADAM17
SCHEMBL6673500 0.89 TUBB1 (0.64) TUBB1STAT6MMP2MMP3ADAM17
Taltobulin SCHEMBL57119 0.89 TUBB1 (0.81) TUBB1STAT6MMP2MMP3ADAM17

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7626023-B2 Compounds for treating tumors WYETH (US) 2009-12-01 US disclosed
US-20080221181-A1 COMPOUNDS FOR TREATING TUMORS WYETH HOLDINGS CORPORATION (US) 2008-09-11 US disclosed
US-7390910-B2 Compounds for treating tumors WYETH (US) 2008-06-24 US disclosed
WO-2005016958-A2 COMPOUNDS FOR TREATING TUMORS WYETH HOLDINGS CORPORATION (US) 2005-02-24 WO disclosed
US-20050037977-A1 Compounds for treating tumors WYETH HOLDINGS CORPORATION (US) 2005-02-17 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 (2 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-20080221181-A1 COMPOUNDS FOR TREATING TUMORS RB1, MRPL9, BCOR TUBB1 588/4885STAT6 972/4885MMP2 2521/4885
US-20050037977-A1 Compounds for treating tumors RB1, MRPL9, BCOR TUBB1 588/4885STAT6 972/4885MMP2 2521/4885

“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.