SCHEMBL22309307

SCHEMBL22309307

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

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TUBB1 Q9H4B7 2/20 0.52
▸ AKT1 P31749 1/20 0.38
▸ MMP2 P08253 3/20 0.30
▸ MMP3 P08254 2/20 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
SCHEMBL22309303 1.00 TUBB1 (0.52) TUBB1AKT1MMP2MMP3
SCHEMBL20732389 1.00 TUBB1 (0.52) TUBB1AKT1MMP2MMP3
SCHEMBL20732398 1.00 TUBB1 (0.52) TUBB1AKT1MMP2MMP3
SCHEMBL22309304 1.00 TUBB1 (0.52) TUBB1AKT1MMP2MMP3
SCHEMBL22309295 0.94 TUBB1 (0.51) TUBB1AKT1MMP3
SCHEMBL20732399 0.94 TUBB1 (0.51) TUBB1AKT1MMP3
SCHEMBL20732393 0.94 TUBB1 (0.51) TUBB1AKT1MMP3
SCHEMBL22308011 0.94 TUBB1 (0.51) TUBB1AKT1MMP3
SCHEMBL24409901 0.91 TUBB1 (0.57) TUBB1AKT1
SCHEMBL24409903 0.91 TUBB1 (0.57) TUBB1AKT1

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-20220144889-A1 Hemiasterlin Derivative Having Cysteine Residue SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2022-05-12 — — US disclosed
US-20200247847-A1 Antibody-Drug Conjugates Including Hemiasterlin Derivative SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2020-08-06 — — 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 (4 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 708/4885MMP2 4185/4885
US-20220202948-A1 Agent for Eliminating Pluripotent Stem Cells POU5F1, POU2F1, POU2F2 TUBB1 119/4885AKT1 3768/4885MMP2 3911/4885
US-11795195-B2 Antibody-drug conjugates including hemiasterlin derivative HSD3B2, HSD3B1, HSD11B2 TUBB1 624/4885AKT1 1702/4885MMP2 2746/4885
US-20200247847-A1 Antibody-Drug Conjugates Including Hemiasterlin Derivative HSD3B2, HSD3B1, HSD11B2 TUBB1 624/4885AKT1 1702/4885MMP2 2746/4885

“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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