SCHEMBL21462054

SCHEMBL21462054

C=CCOC(=O)NC(CCCCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.57
▸ MDM2 Q00987 5/20 0.49
▸ TGM2 P21980 5/20 0.49
▸ TLR2 O60603 2/20 0.48
▸ MDM4 O15151 1/20 0.48
▸ TP53 P04637 1/20 0.48

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
SCHEMBL4600836 1.00 KMT2A (0.57) KMT2AMDM2TGM2TLR2MDM4
SCHEMBL29400961 1.00 KMT2A (0.57) KMT2AMDM2TGM2TLR2MDM4
SCHEMBL178701 1.00 KMT2A (0.57) KMT2AMDM2TGM2TLR2MDM4
SCHEMBL29401249 1.00 KMT2A (0.57) KMT2AMDM2TGM2TLR2MDM4
SCHEMBL29391986 1.00 KMT2A (0.57) KMT2AMDM2TGM2TLR2MDM4
SCHEMBL29958970 1.00 KMT2A (0.57) KMT2AMDM2TGM2TLR2MDM4
SCHEMBL25358347 1.00 KMT2A (0.57) KMT2AMDM2TGM2TLR2MDM4
SCHEMBL29350360 1.00 KMT2A (0.57) KMT2AMDM2TGM2TLR2MDM4
SCHEMBL178771 1.00 KMT2A (0.57) KMT2AMDM2TGM2TLR2MDM4
SCHEMBL25356530 0.99 KMT2A (0.59) KMT2AMDM2TGM2TLR2MDM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024260418-A1 POLYPEPTIDE COMPOUND AND COMPLEX THEREOF, AND USE 杭州禾泰健宇生物科技有限公司 2024-12-26 — — WO disclosed
CN-119176854-A Polypeptide compound, complex and application thereof 杭州禾泰健宇生物科技有限公司 2024-12-24 — — CN disclosed
US-20230257343-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2023-08-17 — — US disclosed
US-11674136-B2 DNA-templated macrocycle library PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2023-06-13 — — US disclosed
US-20200399634-A1 DNA-TEMPLATED MACROCYCLE LIBRARY PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2020-12-24 — — US disclosed
WO-2019168654-A9 DNA-TEMPLATED MACROCYCLE LIBRARY PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2019-10-17 — — 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 (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-11674136-B2 DNA-templated macrocycle library IDE, IAPP, POLRMT KMT2A 3958/4885MDM2 938/4885TGM2 1572/4885
US-20200399634-A1 DNA-TEMPLATED MACROCYCLE LIBRARY IDE, IAPP, POLRMT KMT2A 3958/4885MDM2 938/4885TGM2 1572/4885
US-20230257343-A1 NOVEL AMINO ACID DERIVATIVES DNPEP, BCAT1, ANPEP KMT2A 3083/4885MDM2 423/4885TGM2 187/4885

“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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