SCHEMBL6285024

SCHEMBL6285024

C=CCCCCCCCCCCCNC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.70

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.70
EPHX2 P34913 1/20 0.46
TGM2 P21980 1/20 0.45
TLR2 O60603 1/20 0.42
TLR1 Q15399 1/20 0.42
CASP3 P42574 2/20 0.42
FABP7 O15540 1/20 0.40
FABP5 Q01469 1/20 0.40
OPRD1 P41143 1/20 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
SCHEMBL7403546 0.99 KMT2A (0.68) KMT2AEPHX2TGM2TLR2TLR1
SCHEMBL7402885 0.95 KMT2A (0.66) KMT2AEPHX2TGM2CASP3FABP7
SCHEMBL7402295 0.90 KMT2A (0.62) KMT2AEPHX2CASP3FABP7FABP5
SCHEMBL793384 0.90 KMT2A (0.85) KMT2AEPHX2TLR2TLR1CASP3
SCHEMBL12833414 0.89 KMT2A (0.72) KMT2AEPHX2TGM2TLR2TLR1
SCHEMBL4983472 0.88 KMT2A (0.70) KMT2AEPHX2TGM2TLR2TLR1
SCHEMBL31652687 0.88 KMT2A (0.70) KMT2AEPHX2TLR2TLR1CASP3
SCHEMBL27928895 0.88 KMT2A (0.70) KMT2AEPHX2TLR2TLR1CASP3
SCHEMBL17130452 0.86 KMT2A (0.60) KMT2AEPHX2CASP3FABP7FABP5
SCHEMBL8762032 0.86 KMT2A (0.75) KMT2AEPHX2TGM2TLR2TLR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6951963-B2 Process for preparing N-protected β-amino aldehyde compounds THERAVANCE, INC. (US) 2005-10-04 US disclosed
WO-2003106399-A2 PROCESS FOR PREPARING N-PROTECTED β-AMINO ALDEHYDE COMPOUNDS THERAVANCE, INC. (US) 2003-12-24 WO disclosed
US-20030233010-A1 Process for perparing N-protected beta-amino aldehyde compounds CUMBERLAND PHARMACEUTICALS INC. 2003-12-18 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-20030233010-A1 Process for perparing N-protected beta-amino aldehyde compounds DNPEP, PREP, ANPEP KMT2A 2254/4885EPHX2 2302/4885TGM2 655/4885

“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.