SCHEMBL22308509

SCHEMBL22308509

CN[C@@H](C(=O)NC(C(=O)N(C)[C@H](/C=C(\C)C(=O)ON1C(=O)CCC1=O)C(C)C)C(C)(C)C)C(C)(C)c1cccc(Br)c1

nearest known ligand 0.56

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ TUBB1 Q9H4B7 2/20 0.56

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
SCHEMBL22309069 1.00 TUBB1 (0.56) TUBB1
SCHEMBL20732281 1.00 TUBB1 (0.56) TUBB1
SCHEMBL20732282 1.00 TUBB1 (0.56) TUBB1
SCHEMBL20732280 0.93 TUBB1 (0.57) TUBB1
SCHEMBL22309210 0.93 TUBB1 (0.57) TUBB1
SCHEMBL24360595 0.91 TUBB1 (0.64) TUBB1
SCHEMBL22308496 0.91 TUBB1 (0.56) TUBB1
SCHEMBL20732284 0.91 TUBB1 (0.56) TUBB1
SCHEMBL22100954 0.89 TUBB1 (0.50) TUBB1
SCHEMBL22307881 0.86 TUBB1 (0.70) 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 3 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-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 (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-20220144889-A1 Hemiasterlin Derivative Having Cysteine Residue SHBG, CYP11A1, CYP11B1 TUBB1 1472/4885
US-11795195-B2 Antibody-drug conjugates including hemiasterlin derivative HSD3B2, HSD3B1, HSD11B2 TUBB1 624/4885
US-20200247847-A1 Antibody-Drug Conjugates Including Hemiasterlin Derivative HSD3B2, HSD3B1, HSD11B2 TUBB1 624/4885

“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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