SCHEMBL21792430

SCHEMBL21792430

CC(C)(C)OC(=O)NCC(=O)Nc1cc(CO)ccc1OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP1 P03956 2/20 0.45
▸ MMP2 P08253 2/20 0.45
▸ MMP9 P14780 2/20 0.45
▸ MMP8 P22894 2/20 0.45
▸ MMP13 P45452 2/20 0.45
▸ MAPT P10636 6/20 0.43
▸ KMT2A Q03164 5/20 0.43
▸ MEN1 O00255 4/20 0.43
▸ CYP19A1 P11511 2/20 0.42
▸ LMNA P02545 2/20 0.42
▸ PPIA P62937 1/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ NTSR1 P30989 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ NPC1 O15118 1/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ NFKB2 Q00653 1/20 0.39
▸ RELA Q04206 1/20 0.39

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
SCHEMBL31235870 1.00 MMP1 (0.45) MMP1MMP2MMP9MMP8MMP13
SCHEMBL23607710 0.86 PPIA (0.48) MAPTKMT2AMEN1CYP19A1LMNA
SCHEMBL31235875 0.83 PARP1 (0.36) MMP1MMP2MMP9MMP8MMP13
SCHEMBL21792429 0.83 PARP1 (0.36) MMP1MMP2MMP9MMP8MMP13
SCHEMBL23607717 0.81 PPIA (0.48) MAPTKMT2AMEN1CYP19A1LMNA
SCHEMBL28383031 0.79 MAPT (0.45) MMP1MMP2MMP9MMP8MMP13
SCHEMBL23607702 0.78 PPIA (0.50) MAPTKMT2AMEN1CYP19A1LMNA
SCHEMBL15831277 0.77 MEN1 (0.66) MMP1MMP2MMP9MMP8MMP13
SCHEMBL23607716 0.77 PPIA (0.48) MAPTKMT2AMEN1CYP19A1LMNA
SCHEMBL21792428 0.76 HDAC1 (0.49) KMT2AMEN1

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-20210205464-A1 Linker Containing Arylnitro, Antibody-Drug Conjugate Containing Linker and Use of Linker ZHEJIANG YANGSHENGTANG INSTITUTE OF NATURAL MEDICATION CO., LTD. (CN) 2021-07-08 — — US disclosed
WO-2020043129-A1 LINKER CONTAINING ARYLNITRO, ANTIBODY-DRUG CONJUGATE CONTAINING LINKER AND USE OF LINKER 中国人民解放军军事科学院军事医学研究院 2020-03-05 — — WO 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 (1 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-20210205464-A1 Linker Containing Arylnitro, Antibody-Drug Conjugate Containing Linker and Use of Linker BCR, FCGRT, ERBB2 MMP1 1952/4885MMP2 2408/4885MMP9 2103/4885

“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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