SCHEMBL4375177

SCHEMBL4375177

CNC(=O)[C@@H](N(C(=O)[C@@H](NC)C(C)(C)c1ccccc1)[C@H](/C=C/P(=O)(O)OC)C(C)C)C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TUBB1 Q9H4B7 1/20 0.38
▸ MMP1 P03956 15/20 0.32
▸ MMP13 P45452 9/20 0.32
▸ MMP3 P08254 4/20 0.32
▸ MMP2 P08253 4/20 0.32
▸ MMP8 P22894 2/20 0.32
▸ MMP12 P39900 2/20 0.32
▸ STAT6 P42226 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
SCHEMBL6288305 0.81 TUBB1 (0.36) TUBB1MMP1MMP13
SCHEMBL4375175 0.80 TUBB1 (0.58) TUBB1MMP1MMP13MMP3MMP2
SCHEMBL6805842 0.77 TUBB1 (0.40) TUBB1MMP1MMP13MMP3MMP2
SCHEMBL4368748 0.72 TUBB1 (0.60) TUBB1MMP1MMP13MMP3MMP2
SCHEMBL6260958 0.71 TUBB1 (0.41) TUBB1
SCHEMBL4368386 0.70 TUBB1 (0.57) TUBB1MMP1MMP13MMP3MMP2
SCHEMBL6674391 0.69 TUBB1 (0.47) TUBB1
SCHEMBL6672372 0.69 TUBB1 (0.38) TUBB1MMP1MMP3
SCHEMBL6671859 0.67 TUBB1 (0.44) TUBB1
SCHEMBL6674339 0.65 TUBB1 (0.38) TUBB1

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-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

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-20080221181-A1 COMPOUNDS FOR TREATING TUMORS RB1, MRPL9, BCOR TUBB1 588/4885MMP1 3418/4885MMP13 3120/4885

“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.

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