SCHEMBL24410013

SCHEMBL24410013

CN[C@H](C(=O)N[C@H](C(=O)N(C)[C@H](/C=C(\C)C(=O)N[C@H](CCC(=O)NCCN1C(=O)C=CC1=O)C(=O)N[C@H](CCC(=O)O)C(=O)O)C(C)C)C(C)(C)C)C(C)(C)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TUBB1 Q9H4B7 2/20 0.47
▸ AKT1 P31749 1/20 0.32
▸ MMP1 P03956 1/20 0.30
▸ MMP3 P08254 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
SCHEMBL24410018 1.00 TUBB1 (0.47) TUBB1AKT1MMP1MMP3
SCHEMBL24410030 0.96 TUBB1 (0.50) TUBB1AKT1
SCHEMBL22308042 0.96 TUBB1 (0.50) TUBB1AKT1
SCHEMBL24410045 0.96 TUBB1 (0.50) TUBB1AKT1
SCHEMBL20732387 0.96 TUBB1 (0.50) TUBB1AKT1
SCHEMBL24410193 0.95 TUBB1 (0.49) TUBB1AKT1
SCHEMBL22308043 0.95 TUBB1 (0.49) TUBB1AKT1
SCHEMBL24409907 0.95 TUBB1 (0.49) TUBB1AKT1
SCHEMBL24409908 0.95 TUBB1 (0.49) TUBB1AKT1
SCHEMBL22309295 0.93 TUBB1 (0.51) TUBB1AKT1MMP1MMP3

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-20220144889-A1 Hemiasterlin Derivative Having Cysteine Residue SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2022-05-12 — — 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-20220144889-A1 Hemiasterlin Derivative Having Cysteine Residue SHBG, CYP11A1, CYP11B1 TUBB1 1472/4885AKT1 708/4885MMP1 3764/4885

“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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