SCHEMBL31688560

SCHEMBL31688560

CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)CCCC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.43
FOLH1 Q04609 2/20 0.41
TPSAB1 Q15661 2/20 0.38
TPSD1 Q9BZJ3 2/20 0.38
TPSG1 Q9NRR2 2/20 0.38
TLR2 O60603 4/20 0.37
TLR1 Q15399 2/20 0.36
MDM2 Q00987 1/20 0.36
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
EPOR P19235 1/20 0.34

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
SCHEMBL25355565 0.96 KMT2A (0.44) KMT2AFOLH1TPSAB1TPSD1TPSG1
SCHEMBL25355567 0.96 KMT2A (0.44) KMT2AFOLH1TPSAB1TPSD1TPSG1
SCHEMBL31714214 0.92 KMT2A (0.43) KMT2AFOLH1TPSAB1TPSD1TPSG1
SCHEMBL25358215 0.90 KMT2A (0.39) KMT2AFOLH1TLR2MDM2
SCHEMBL25358208 0.90 KMT2A (0.39) KMT2AFOLH1TLR2MDM2
SCHEMBL29401577 0.88 KMT2A (0.50) KMT2AFOLH1TPSAB1TPSD1TPSG1
SCHEMBL25354987 0.88 KMT2A (0.50) KMT2AFOLH1TPSAB1TPSD1TPSG1
SCHEMBL25354991 0.88 KMT2A (0.50) KMT2AFOLH1TPSAB1TPSD1TPSG1
SCHEMBL31688635 0.87 KMT2A (0.52) KMT2AFOLH1TPSAB1TPSD1TPSG1
SCHEMBL25356972 0.86 KMT2A (0.44) KMT2AFOLH1TPSAB1TPSD1TPSG1

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-20250296915-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2025-09-25 US claimed
US-20250296915-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2025-09-25 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-20250296915-A1 NOVEL AMINO ACID DERIVATIVES DNPEP, BCAT1, ANPEP KMT2A 2979/4885FOLH1 239/4885TPSAB1 3368/4885

“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.