SCHEMBL22316407

SCHEMBL22316407

CCCOC(=O)CC[C@H](NC(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CCC(=O)OCC)C(=O)OCC)C(=O)OCC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.55
▸ POLB P06746 1/20 0.55
▸ L3MBTL1 Q9Y468 2/20 0.54
▸ CYP1A2 P05177 1/20 0.52
▸ CYP2C9 P11712 1/20 0.52
▸ CYP2C19 P33261 1/20 0.52
▸ HTT P42858 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ CTSK P43235 5/20 0.42
▸ CTSS P25774 2/20 0.42
▸ ALDH1A1 P00352 4/20 0.41
▸ MAPT P10636 3/20 0.41
▸ KDM4E B2RXH2 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ NOD1 Q9Y239 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ ALOX12 P18054 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ BCHE P06276 1/20 0.37

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
SCHEMBL27405609 0.94 KMT2A (0.61) KMT2APOLBL3MBTL1CYP1A2CYP2C9
SCHEMBL22070138 0.94 KMT2A (0.61) KMT2APOLBL3MBTL1CYP1A2CYP2C9
SCHEMBL26835311 0.88 KMT2A (0.47) KMT2APOLBL3MBTL1CYP1A2CYP2C9
SCHEMBL2721298 0.85 CYP1A2 (0.68) KMT2APOLBL3MBTL1CYP1A2CYP2C9
SCHEMBL2721300 0.85 CYP1A2 (0.68) KMT2APOLBL3MBTL1CYP1A2CYP2C9
SCHEMBL19658230 0.83 KMT2A (0.49) KMT2APOLBL3MBTL1CYP1A2CYP2C9
SCHEMBL13399086 0.82 KMT2A (0.63) KMT2APOLBL3MBTL1CYP1A2CYP2C9
SCHEMBL13399640 0.82 KMT2A (0.63) KMT2APOLBL3MBTL1CYP1A2CYP2C9
SCHEMBL31294360 0.82 CYP1A2 (0.56) KMT2APOLBL3MBTL1CYP1A2CYP2C9
SCHEMBL17715134 0.80 CYP1A2 (0.56) KMT2APOLBL3MBTL1CYP1A2CYP2C9

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 2 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
US-20200247845-A1 Hemiasterlin Derivatives and Antibody-Drug Conjugates Including Same 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 (2 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-20200247845-A1 Hemiasterlin Derivatives and Antibody-Drug Conjugates Including Same FCGRT, QARS1, INHA KMT2A 496/4885POLB 3604/4885L3MBTL1 4119/4885
US-12018093-B2 Hemiasterlin derivatives and antibody-drug conjugates including same FCGRT, QARS1, INHA KMT2A 496/4885POLB 3604/4885L3MBTL1 4119/4885

“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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