SCHEMBL20732399

SCHEMBL20732399

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

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TUBB1 Q9H4B7 2/20 0.51
▸ AKT1 P31749 1/20 0.38
▸ MMP1 P03956 1/20 0.31
▸ MMP3 P08254 1/20 0.31
▸ ADAMTS4 O75173 1/20 0.30
▸ ADAMTS5 Q9UNA0 1/20 0.30
▸ CCKBR P32239 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
SCHEMBL22309295 1.00 TUBB1 (0.51) TUBB1AKT1MMP1MMP3ADAMTS4
SCHEMBL20732393 1.00 TUBB1 (0.51) TUBB1AKT1MMP1MMP3ADAMTS4
SCHEMBL22308011 1.00 TUBB1 (0.51) TUBB1AKT1MMP1MMP3ADAMTS4
SCHEMBL22309307 0.94 TUBB1 (0.52) TUBB1AKT1MMP3
SCHEMBL22309303 0.94 TUBB1 (0.52) TUBB1AKT1MMP3
SCHEMBL22309304 0.94 TUBB1 (0.52) TUBB1AKT1MMP3
SCHEMBL20732389 0.94 TUBB1 (0.52) TUBB1AKT1MMP3
SCHEMBL20732398 0.94 TUBB1 (0.52) TUBB1AKT1MMP3
SCHEMBL24410013 0.93 TUBB1 (0.47) TUBB1AKT1MMP1MMP3
SCHEMBL24410018 0.93 TUBB1 (0.47) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11795195-B2 Antibody-drug conjugates including hemiasterlin derivative Sumitomo Pharma Co., Ltd. (JP) 2023-10-24 — — US disclosed
US-20220202948-A1 Agent for Eliminating Pluripotent Stem Cells SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2022-06-30 — — US disclosed
US-20200247847-A1 Antibody-Drug Conjugates Including Hemiasterlin Derivative SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2020-08-06 — — US disclosed
WO-2019031614-A1 ANTIBODY-DRUG CONJUGATES INCLUDING HEMIASTERLIN DERIVATIVE 大日本住友製薬株式会社 2019-02-14 — — WO 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 (3 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-20220202948-A1 Agent for Eliminating Pluripotent Stem Cells POU5F1, POU2F1, POU2F2 TUBB1 119/4885AKT1 3768/4885MMP1 1978/4885
US-11795195-B2 Antibody-drug conjugates including hemiasterlin derivative HSD3B2, HSD3B1, HSD11B2 TUBB1 624/4885AKT1 1702/4885MMP1 2483/4885
US-20200247847-A1 Antibody-Drug Conjugates Including Hemiasterlin Derivative HSD3B2, HSD3B1, HSD11B2 TUBB1 624/4885AKT1 1702/4885MMP1 2483/4885

“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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