SCHEMBL22069844

SCHEMBL22069844

Cn1cc(C(C)(C)C(NC(=O)OC(C)(C)C)C(=O)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
GSK3B P49841 1/20 0.40
NR4A2 P43354 1/20 0.38
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
IDO1 P14902 2/20 0.36
BRD4 O60885 1/20 0.35
HTT P42858 1/20 0.34
KDM4E B2RXH2 2/20 0.34

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
SCHEMBL22309193 1.00 GLA (0.42) GLAHDAC3HDAC4HDAC1HDAC7
SCHEMBL22345961 0.96 GSK3B (0.40) GLAHDAC3HDAC4HDAC1HDAC7
SCHEMBL13203784 0.86 GLA (0.46) GLAHDAC3HDAC4HDAC1HDAC7
SCHEMBL22070157 0.86 GLA (0.46) GLAHDAC3HDAC4HDAC1HDAC7
SCHEMBL22309191 0.85 GLA (0.45) GLAHDAC3HDAC4HDAC1HDAC7
SCHEMBL22069848 0.85 GLA (0.47) GLAHDAC3HDAC4HDAC1HDAC7
SCHEMBL22069849 0.85 GLA (0.47) GLAHDAC3HDAC4HDAC1HDAC7
SCHEMBL22069886 0.85 GLA (0.45) GLAHDAC3HDAC4HDAC1HDAC7
SCHEMBL22100918 0.81 HDAC3 (0.39) GLAHDAC3HDAC4HDAC1HDAC7
SCHEMBL22069885 0.74 GLA (0.45) GLAHDAC3HDAC4HDAC1HDAC7

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12018093-B2 Hemiasterlin derivatives and antibody-drug conjugates including same Sumitomo Pharma Co., Ltd. (JP) 2024-06-25 US disclosed
EP-3666787-B1 ANTIBODY-DRUG CONJUGATES INCLUDING HEMIASTERLIN DERIVATIVE SUMITOMO PHARMA CO LTD (JP) 2024-02-21 EP disclosed
EP-4321523-A2 HEMIASTERLIN DERIVATIVES AND ANTIBODY-DRUG CONJUGATES INCLUDING SAME Sumitomo Pharma Co., Ltd. (JP) 2024-02-14 EP 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-20220125941-A1 Hemiasterlin Derivative and Antibody-Drug Conjugate Thereof SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2022-04-28 US disclosed
EP-3925668-A1 HEMIASTERLIN DERIVATIVE HAVING CYSTEINE RESIDUE Sumitomo Dainippon Pharma Co., Ltd. (JP) 2021-12-22 EP disclosed
WO-2020166613-A1 AGENT FOR ELIMINATING PLURIPOTENT STEM CELLS 大日本住友製薬株式会社 2020-08-20 WO disclosed
WO-2020166592-A1 HEMIASTERLIN DERIVATIVE AND ANTIBODY-DRUG CONJUGATE THEREOF 大日本住友製薬株式会社 2020-08-20 WO disclosed
WO-2020166600-A1 HEMIASTERLIN DERIVATIVE HAVING CYSTEINE RESIDUE 大日本住友製薬株式会社 2020-08-20 WO disclosed
EP-3666787-A1 ANTIBODY-DRUG CONJUGATES INCLUDING HEMIASTERLIN DERIVATIVE Sumitomo Dainippon Pharma Co., Ltd. (JP) 2020-06-17 EP disclosed
EP-3666788-A1 HEMIASTERLIN DERIVATIVES AND ANTIBODY-DRUG CONJUGATES INCLUDING SAME Sumitomo Dainippon Pharma Co., Ltd. (JP) 2020-06-17 EP 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 GLA 1861/4885HDAC3 1196/4885HDAC4 3026/4885
US-20220202948-A1 Agent for Eliminating Pluripotent Stem Cells POU5F1, POU2F1, POU2F2 GLA 698/4885HDAC3 944/4885HDAC4 406/4885
US-20220125941-A1 Hemiasterlin Derivative and Antibody-Drug Conjugate Thereof SHBG, HSD17B7, CYP17A1 GLA 969/4885HDAC3 349/4885HDAC4 1869/4885
US-12018093-B2 Hemiasterlin derivatives and antibody-drug conjugates including same FCGRT, QARS1, INHA GLA 2903/4885HDAC3 1197/4885HDAC4 867/4885

“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.