SCHEMBL22307993

SCHEMBL22307993

C/C(=C\[C@H](C(C)C)N(C)C(=O)C(NC(=O)[C@H]1CCCCN1C(=O)CCN1C(=O)C=CC1=O)C(C)(C)C)C(=O)N[C@H](CCC(=O)O)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TUBB1 Q9H4B7 2/20 0.37
▸ CMA1 P23946 1/20 0.36
▸ PTPN1 P18031 1/20 0.34
▸ CASP1 P29466 1/20 0.31
▸ CASP3 P42574 1/20 0.31
▸ CASP2 P42575 1/20 0.31
▸ CASP4 P49662 1/20 0.31
▸ CASP5 P51878 1/20 0.31
▸ CASP7 P55210 1/20 0.31
▸ CASP9 P55211 1/20 0.31
▸ CASP8 Q14790 1/20 0.31
▸ CASP10 Q92851 1/20 0.31
▸ ELANE P08246 2/20 0.31
▸ ITGB1 P05556 1/20 0.30
▸ ITGA4 P13612 1/20 0.30
▸ NTSR2 O95665 3/20 0.30
▸ NTSR1 P30989 3/20 0.30
▸ DPP3 Q9NY33 1/20 0.30
▸ SORT1 Q99523 1/20 0.30
▸ SLC6A2 P23975 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
SCHEMBL20732499 1.00 TUBB1 (0.37) TUBB1CMA1PTPN1CASP1CASP3
SCHEMBL24114977 0.89 CMA1 (0.35) CMA1PTPN1
SCHEMBL24410063 0.85 FOLH1 (0.37) TUBB1CMA1PTPN1NTSR2NTSR1
SCHEMBL24410068 0.85 FOLH1 (0.37) TUBB1CMA1PTPN1NTSR2NTSR1
SCHEMBL22069906 0.84 CMA1 (0.41) TUBB1CMA1
SCHEMBL22309342 0.84 TUBB1 (0.36) TUBB1
SCHEMBL20732462 0.84 TUBB1 (0.36) TUBB1
SCHEMBL22346164 0.83 TUBB1 (0.43) TUBB1CMA1
SCHEMBL22346161 0.83 TUBB1 (0.43) TUBB1CMA1
SCHEMBL20739117 0.83 TUBB1 (0.43) TUBB1CMA1

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 1472/4885CMA1 1165/4885PTPN1 2233/4885
US-11795195-B2 Antibody-drug conjugates including hemiasterlin derivative HSD3B2, HSD3B1, HSD11B2 TUBB1 624/4885CMA1 491/4885PTPN1 1524/4885
US-20200247847-A1 Antibody-Drug Conjugates Including Hemiasterlin Derivative HSD3B2, HSD3B1, HSD11B2 TUBB1 624/4885CMA1 491/4885PTPN1 1524/4885

“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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