SCHEMBL6047697

SCHEMBL6047697

O=C(O)Cc1ccc(NC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)cc1

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA1 P00915 18/20 0.64
CA2 P00918 18/20 0.64
CA4 P22748 7/20 0.64
CA12 O43570 4/20 0.64
CA9 Q16790 4/20 0.64
KMT2A Q03164 1/20 0.49
ATM Q13315 1/20 0.49
NR1H4 Q96RI1 1/20 0.49

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
SCHEMBL15499792 0.91 CA1 (0.75) CA1CA2CA4CA12CA9
SCHEMBL13523700 0.89 CA1 (0.66) CA1CA2CA4CA12CA9
SCHEMBL6047716 0.88 CA1 (0.52) CA1CA2CA4CA12CA9
SCHEMBL4272357 0.84 CA1 (0.67) CA1CA2CA4CA12CA9
SCHEMBL4268752 0.84 CA1 (0.67) CA1CA2CA4CA12CA9
SCHEMBL19663826 0.83 CA1 (0.70) CA1CA2CA4CA12CA9
SCHEMBL13523716 0.83 CA1 (0.59) CA1CA2CA4CA12CA9
SCHEMBL14306564 0.81 CA1 (0.56) CA1CA2CA4CA12CA9
SCHEMBL4265384 0.80 CA1 (0.55) CA1CA2CA4CA12CA9
SCHEMBL7768642 0.80 CA1 (0.55) CA1CA2CA4CA12CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5859214-A DTPA monoamides, pharmaceutical agents containing these compounds, their use and process for their production SCHERING AKTIENGESELLSHAFT (DE) 1999-01-12 US claimed
US-7074387-B2 DTPA monoamides, pharmaceutical agents containing these compounds, their use and process for their production SCHERING AG (DE) 2006-07-11 US disclosed
US-20030202943-A1 DTPA monoamides, pharmaceutical agents containing these compounds, their use and process for their production SCHERING AKTIENGESELLSCHAFT (DE) 2003-10-30 US disclosed
US-6565830-B1 Contrast agent for imaging SCHERING AKTIENGESELLSCHAFT (DE) 2003-05-20 US disclosed
US-6287538-B1 CONTRAST AGENT SCHERING AKTIENGESELLSCHAFT (DE) 2001-09-11 US disclosed
US-5859214-A DTPA monoamides, pharmaceutical agents containing these compounds, their use and process for their production SCHERING AKTIENGESELLSHAFT (DE) 1999-01-12 US disclosed
US-5843399-A DTPA monoamides for MRI SCHERING AKTIENGESELLSCHAFT (DE) 1998-12-01 US disclosed
EP-0450742-B1 DTPA-Monoamids, pharmaceutical compositions containing them, their use and process for their preparation SCHERING AG (DE) 1994-07-06 EP disclosed
EP-0450742-A1 DTPA-Monoamids, pharmaceutical compositions containing them, their use and process for their preparation SCHERING AKTIENGESELLSCHAFT (DE) 1991-10-09 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 (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-20030202943-A1 DTPA monoamides, pharmaceutical agents containing these compounds, their use and process for their production SLC43A1, HRH4, ACSL6 CA1 84/4885CA2 13/4885CA4 9/4885

“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.