SCHEMBL13660113

SCHEMBL13660113

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TUBB1 Q9H4B7 2/20 0.43
▸ ADAM17 P78536 5/20 0.34
▸ MMP1 P03956 14/20 0.33
▸ MMP3 P08254 14/20 0.33
▸ MMP9 P14780 9/20 0.33
▸ MMP2 P08253 11/20 0.32
▸ MMP8 P22894 4/20 0.32
▸ MMP13 P45452 3/20 0.32
▸ MMP7 P09237 4/20 0.32
▸ MMP14 P50281 2/20 0.32
▸ TNF P01375 2/20 0.32
▸ MMP20 O60882 1/20 0.32
▸ ADAMTS4 O75173 1/20 0.32
▸ MMP10 P09238 1/20 0.32
▸ MMP12 P39900 1/20 0.32
▸ MMP15 P51511 1/20 0.32
▸ MMP16 P51512 1/20 0.32
▸ MMP25 Q9NPA2 1/20 0.32
▸ MMP26 Q9NRE1 1/20 0.32
▸ ADAMTS5 Q9UNA0 1/20 0.32

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
SCHEMBL14567809 0.90 TUBB1 (0.48) TUBB1ADAM17MMP1MMP3MMP9
SCHEMBL57849 0.90 TUBB1 (0.48) TUBB1ADAM17MMP1MMP3MMP9
SCHEMBL13751416 0.90 TUBB1 (0.48) TUBB1ADAM17MMP1MMP3MMP9
SCHEMBL13660111 0.80 TUBB1 (0.57) TUBB1ADAM17MMP1MMP3MMP9
SCHEMBL6806419 0.80 TUBB1 (0.57) TUBB1ADAM17MMP1MMP3MMP9
SCHEMBL6806006 0.80 TUBB1 (0.50) TUBB1ADAM17MMP1MMP9MMP14
SCHEMBL14567801 0.78 TUBB1 (0.66) TUBB1
SCHEMBL13660110 0.78 TUBB1 (0.66) TUBB1
SCHEMBL58040 0.78 TUBB1 (0.66) TUBB1
SCHEMBL57848 0.76 TUBB1 (0.41) TUBB1ADAM17MMP1MMP3MMP9

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-20090264487-A1 HEMIASTERLIN ANALOGS THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2009-10-22 — — US disclosed
US-20090264487-A1 HEMIASTERLIN ANALOGS THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2009-10-22 — — 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-20090264487-A1 HEMIASTERLIN ANALOGS NUMA1, CYP11A1, PDS5A TUBB1 168/4885ADAM17 2504/4885MMP1 4530/4885

“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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