Sugi Predict

Sugi Predict / Compounds / SCHEMBL5839367

SCHEMBL5839367

SCHEMBL5839367

COC(=O)C(CO)NC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.52
▸ CASP3 P42574 2/20 0.52
▸ MDM4 O15151 2/20 0.52
▸ TP53 P04637 2/20 0.52
▸ EPHX2 P34913 1/20 0.49
▸ MDM2 Q00987 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
SCHEMBL29401385 1.00 KMT2A (0.52) KMT2ACASP3MDM4TP53EPHX2
SCHEMBL1486273 1.00 KMT2A (0.52) KMT2ACASP3MDM4TP53EPHX2
SCHEMBL29397989 1.00 KMT2A (0.52) KMT2ACASP3MDM4TP53EPHX2
SCHEMBL7391110 1.00 KMT2A (0.52) KMT2ACASP3MDM4TP53EPHX2
SCHEMBL10028351 0.91 KMT2A (0.53) KMT2ACASP3MDM4TP53EPHX2
SCHEMBL13863441 0.91 KMT2A (0.53) KMT2ACASP3MDM4TP53EPHX2
SCHEMBL11949183 0.91 CASP3 (0.47) KMT2ACASP3MDM4TP53EPHX2
SCHEMBL377523 0.90 MDM4 (0.50) KMT2ACASP3MDM4TP53EPHX2
SCHEMBL30564455 0.90 MDM4 (0.50) KMT2ACASP3MDM4TP53EPHX2
SCHEMBL29738269 0.90 MDM4 (0.50) KMT2ACASP3MDM4TP53EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108047268-B 1-aza-5-gera-5-alkyl bicyclo [3.3.3] undecane compound, synthesis method and application 中国科学技术大学 2020-05-01 — — CN claimed
CN-111148739-A Cyclopeptide antibiotics 豪夫迈·罗氏有限公司 2020-05-12 — — CN disclosed
CN-108047268-B 1-aza-5-gera-5-alkyl bicyclo [3.3.3] undecane compound, synthesis method and application 中国科学技术大学 2020-05-01 — — CN disclosed
US-8546533-B2 Pipecolic linker and its use for chemistry on solid support CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2013-10-01 — — US disclosed
US-20130045928-A1 Uses of Natriuretic Peptide Constructs PALATIN TECHNOLOGIES, INC. (US) 2013-02-21 — — US disclosed
US-20110152464-A1 PIPECOLIC LINKER AND ITS USE FOR CHEMISTRY ON SOLID SUPPORT UNIVERSITE DE MONTPELLIER I (FR) 2011-06-23 — — US disclosed
US-7078520-B2 Glycosylation of exo-glycals ACADEMIA SINICA (TW) 2006-07-18 — — US disclosed
US-20040199029-A1 Glycosylation of exo-glycals ACADEMIA SINICA (TW) 2004-10-07 — — 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-20130045928-A1 Uses of Natriuretic Peptide Constructs NPR1, NPPA, NPR3 KMT2A 4167/4885CASP3 3568/4885MDM4 4647/4885
US-20110152464-A1 PIPECOLIC LINKER AND ITS USE FOR CHEMISTRY ON SOLID SUPPORT PRRC2C, VIP, PRRC2A KMT2A 4248/4885CASP3 3929/4885MDM4 4045/4885
US-20040199029-A1 Glycosylation of exo-glycals ST6GAL1, GNE, GALE KMT2A 837/4885CASP3 1914/4885MDM4 4370/4885

“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.