SCHEMBL5185704

SCHEMBL5185704

COC(=O)C(c1ccccc1)N(CC(=O)OC(C)(C)C)C(=O)OC

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.43
CASR P41180 1/20 0.43
NR1H2 P55055 1/20 0.42
NR1H3 Q13133 1/20 0.42
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
ITGA4 P13612 1/20 0.38
ITGB7 P26010 1/20 0.38
MAPT P10636 1/20 0.37
MEN1 O00255 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TACR3 P29371 1/20 0.36
KLK5 Q9Y337 1/20 0.35

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
SCHEMBL5255513 0.91 CASR (0.43) KMT2ACASRNR1H2NR1H3CTSS
SCHEMBL5185377 0.83 SMN1; SMN2 (0.38) KMT2ACASRNR1H2NR1H3CTSS
SCHEMBL4138910 0.82 GSTO1 (0.36) KMT2ACTSSCTSKMEN1L3MBTL1
SCHEMBL1096979 0.78 KMT2A (0.47) KMT2ANR1H2NR1H3CTSSCTSK
SCHEMBL1096980 0.78 KMT2A (0.47) KMT2ANR1H2NR1H3CTSSCTSK
SCHEMBL4693070 0.77 GSTO1 (0.36) KMT2ACASRCTSSCTSKMAPT
SCHEMBL13435761 0.76 CASR (0.43) KMT2ACASRCTSSITGA4ITGB7
SCHEMBL6442123 0.76 ITGA4 (0.46) CTSSCTSKITGA4ITGB7MAPT
SCHEMBL20741069 0.75 CASR (0.41) KMT2ACASRCTSSCTSKMAPT
SCHEMBL20741070 0.75 CASR (0.41) KMT2ACASRCTSSCTSKMAPT

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-7288549-B2 Heterocyclic compounds, method for preparing same and use thereof as medicines, in particular as antibacterial agents AVENTIS PHARMA S.A. (FR) 2007-10-30 US disclosed
US-20050245505-A1 Novel heterocyclic compounds, method for preparing same and use thereof as medicines, in particular as antibacterial agents ENTASIS THERAPEUTICS LIMITED (GB) 2005-11-03 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-20050245505-A1 Novel heterocyclic compounds, method for preparing same and use thereof as medicines, in particular as antibacterial agents FDPS, MRPL21, DHPS KMT2A 3643/4885CASR 4422/4885NR1H2 2718/4885

“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.