SCHEMBL4983472

SCHEMBL4983472

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

nearest known ligand 0.70

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.70
TGM2 P21980 3/20 0.60
EPHX2 P34913 1/20 0.46
CASP3 P42574 2/20 0.42
ZDHHC20 Q5W0Z9 1/20 0.41
ZDHHC2 Q9UIJ5 1/20 0.41
TLR2 O60603 1/20 0.41
TLR1 Q15399 1/20 0.41
FABP7 O15540 1/20 0.40
FABP5 Q01469 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
SCHEMBL793384 0.90 KMT2A (0.85) KMT2AEPHX2CASP3TLR2TLR1
SCHEMBL29880219 0.88 KMT2A (0.55) KMT2ATGM2EPHX2CASP3FABP7
SCHEMBL15217739 0.88 KMT2A (0.55) KMT2ATGM2EPHX2CASP3FABP7
SCHEMBL6285024 0.88 KMT2A (0.70) KMT2ATGM2EPHX2CASP3TLR2
SCHEMBL7403546 0.86 KMT2A (0.68) KMT2ATGM2EPHX2CASP3TLR2
SCHEMBL8762032 0.86 KMT2A (0.75) KMT2ATGM2EPHX2CASP3TLR2
SCHEMBL7402885 0.85 KMT2A (0.66) KMT2ATGM2EPHX2CASP3FABP7
SCHEMBL19893094 0.85 KMT2A (0.73) KMT2AEPHX2CASP3FABP7FABP5
SCHEMBL887559 0.85 KMT2A (0.77) KMT2AEPHX2CASP3TLR2TLR1
SCHEMBL29458423 0.85 KMT2A (0.77) KMT2AEPHX2CASP3TLR2TLR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080038745-A1 NUCLEOTIDE ANALOGS WITH SIX-MEMBERED RINGS BERGMANN FRANK 2008-02-14 US disclosed
US-7276592-B2 Nucleotide analogs with six-membered rings ROCHE DIAGNOSTICS OPERATIONS, INC. (US) 2007-10-02 US disclosed
US-7276592-B2 Nucleotide analogs with six-membered rings ROCHE DIAGNOSTICS OPERATIONS, INC. (US) 2007-10-02 US disclosed
US-20050004078-A1 Nucleotide analogs with six-membered rings ROCHE DIAGNOSTICS OPERATIONS, INC. 2005-01-06 US disclosed
EP-1466919-A1 Nucleotide analogs with six membered rings Roche Diagnostics GmbH (DE) 2004-10-13 EP 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 (2 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-20050004078-A1 Nucleotide analogs with six-membered rings NUDT1, TYMS, RNGTT KMT2A 4077/4885TGM2 4176/4885EPHX2 1562/4885
US-20080038745-A1 NUCLEOTIDE ANALOGS WITH SIX-MEMBERED RINGS NUDT1, TYMS, RNGTT KMT2A 4077/4885TGM2 4176/4885EPHX2 1562/4885

“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.