SCHEMBL31000653

SCHEMBL31000653

N#Cc1ccc([C@@H](O)[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)cc1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.46
▸ MDM4 O15151 3/20 0.45
▸ TP53 P04637 3/20 0.45
▸ CASP3 P42574 4/20 0.45
▸ EPHX2 P34913 1/20 0.42
▸ MDM2 Q00987 2/20 0.40

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
SCHEMBL31000539 1.00 KMT2A (0.46) KMT2AMDM4TP53CASP3EPHX2
SCHEMBL31037753 1.00 KMT2A (0.46) KMT2AMDM4TP53CASP3EPHX2
SCHEMBL31000491 0.90 CASP3 (0.50) KMT2AMDM4TP53CASP3EPHX2
SCHEMBL12069026 0.90 CASP3 (0.50) KMT2AMDM4TP53CASP3EPHX2
SCHEMBL9995014 0.90 CASP3 (0.50) KMT2AMDM4TP53CASP3EPHX2
SCHEMBL17703894 0.90 CASP3 (0.50) KMT2AMDM4TP53CASP3EPHX2
SCHEMBL21243785 0.90 CASP3 (0.50) KMT2AMDM4TP53CASP3EPHX2
SCHEMBL31000544 0.85 KMT2A (0.46) KMT2AMDM4TP53CASP3EPHX2
SCHEMBL31000630 0.85 KMT2A (0.46) KMT2AMDM4TP53CASP3EPHX2
SCHEMBL31080829 0.85 MDM4 (0.48) KMT2AMDM4TP53CASP3EPHX2

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-20240287138-A1 CYCLIC PEPTIDES FOR INHIBITING TNF RECEPTOR 1 ACTIVITY MERCK SHARP & DOHME LLC 2024-08-29 — — 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-20240287138-A1 CYCLIC PEPTIDES FOR INHIBITING TNF RECEPTOR 1 ACTIVITY TNF, TNFRSF1A, CD40 KMT2A 4601/4885MDM4 4764/4885TP53 4184/4885

“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.

Send feedback