SCHEMBL31369573

SCHEMBL31369573

CC(C)(C)OC(=O)NCCNC(=O)CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MDM2 Q00987 6/20 0.56
▸ TLR2 O60603 3/20 0.54
▸ KMT2A Q03164 1/20 0.49
▸ MDM4 O15151 2/20 0.47
▸ TP53 P04637 2/20 0.47
▸ TLR1 Q15399 1/20 0.46
▸ IDO1 P14902 1/20 0.45

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
SCHEMBL12254867 0.94 TLR2 (0.57) MDM2TLR2KMT2AMDM4TP53
SCHEMBL30684555 0.93 TLR2 (0.58) MDM2TLR2KMT2AMDM4TP53
SCHEMBL14433000 0.92 TLR2 (0.59) MDM2TLR2KMT2AMDM4TP53
SCHEMBL178814 0.92 MDM2 (0.59) MDM2TLR2KMT2AMDM4TP53
SCHEMBL29397631 0.92 MDM2 (0.59) MDM2TLR2KMT2AMDM4TP53
SCHEMBL1637300 0.92 MDM2 (0.59) MDM2TLR2KMT2AMDM4TP53
SCHEMBL1638340 0.92 MDM2 (0.59) MDM2TLR2KMT2AMDM4TP53
SCHEMBL29400055 0.92 MDM2 (0.59) MDM2TLR2KMT2AMDM4TP53
SCHEMBL30477936 0.92 MDM2 (0.59) MDM2TLR2KMT2AMDM4TP53
SCHEMBL1738182 0.91 MDM2 (0.59) MDM2TLR2KMT2AMDM4TP53

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-20240400499-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2024-12-05 — — US claimed
US-20240400499-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2024-12-05 — — 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-20240400499-A1 NOVEL AMINO ACID DERIVATIVES BCAT1, BCAT2, PELP1 MDM2 2036/4885TLR2 4097/4885KMT2A 3415/4885

“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