SCHEMBL23056533

SCHEMBL23056533

CC(=O)CN(C)C(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.46
FABP5 Q01469 3/20 0.45
FABP7 O15540 2/20 0.45
EPHX2 P34913 1/20 0.43
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
POLB P06746 1/20 0.41
CASP3 P42574 2/20 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
SCHEMBL29397325 0.89 KMT2A (0.48) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL119579 0.89 KMT2A (0.48) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL29649593 0.89 KMT2A (0.48) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL30361215 0.87 KMT2A (0.45) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL10201730 0.87 KMT2A (0.45) KMT2AFABP5FABP7EPHX2CA1
Water SCHEMBL21056515 0.87 KMT2A (0.47) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL31732511 0.87 KMT2A (0.45) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL26720575 0.87 KMT2A (0.45) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL13359306 0.85 BCHE (0.48) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL6609450 0.84 KMT2A (0.47) KMT2AFABP5FABP7EPHX2CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210061860-A1 PEPTIDE-COMPOUND CYCLIZATION METHOD CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2021-03-04 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 (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-20210061860-A1 PEPTIDE-COMPOUND CYCLIZATION METHOD VIP, NGLY1, GLP1R KMT2A 4608/4885FABP5 2565/4885FABP7 3166/4885

“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.