SCHEMBL6562236

SCHEMBL6562236

CC(C)(CN(CC(=O)O)CC(=O)O)CN(CC(=O)O)CC(Cc1ccc(NNC(N)=S)cc1)NC(C(=O)O)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CA2 P00918 6/20 0.33
CA1 P00915 5/20 0.33
CA4 P22748 2/20 0.32
CA5A P35218 1/20 0.31

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
SCHEMBL6562249 0.83 CA2 (0.35) CA2CA1CA4CA5A
SCHEMBL6560942 0.83 KMT2A (0.36)
SCHEMBL6560847 0.82 KMT2A (0.35) CA2CA1CA4
SCHEMBL6560944 0.81 KMT2A (0.35) CA2CA1CA4
SCHEMBL6560873 0.80 HSD17B10 (0.34)
SCHEMBL6560591 0.75 RAB9A (0.32) CA2CA1
SCHEMBL6563610 0.72 LMNA (0.36) CA2
SCHEMBL6560883 0.69 HSD17B10 (0.30)
SCHEMBL1493211 0.69 NPC1 (0.38) CA2
SCHEMBL6560960 0.66 KMT2A (0.38)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040258620-A1 (Ethylene)-( propylene)-triaminepentaacetic acid derivatives, process for their production, and their use for the production of pharmaceutical agents SCHERING AG (DE) 2004-12-23 US disclosed
EP-1397339-A1 (ETHYLENE)-(PROPYLENE)-TRIAMINEPENTAACETIC ACID DERIVATIVES, PROCESS FOR THEIR PRODUCTION, AND THEIR USE FOR THE PRODUCTION OF PHARMACEUTICAL AGENTS Schering Aktiengesellschaft (DE) 2004-03-17 EP disclosed
US-20030194371-A1 (Ethylene)-(propylene) - triaminepentaacetic acid derivatives, process for their production, and their use for the production of pharmaceutical agents SCHERING AG (DE) 2003-10-16 US disclosed
WO-2003000647-A1 (ETHYLENE)-(PROPYLENE)-TRIAMINEPENTAACETIC ACID DERIVATIVES, PROCESS FOR THEIR PRODUCTION, AND THEIR USE FOR THE PRODUCTION OF PHARMACEUTICAL AGENTS SCHERING AG (DE) 2003-01-03 WO 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-20040258620-A1 (Ethylene)-( propylene)-triaminepentaacetic acid derivatives, process for their production, and their use for the production of pharmaceutical agents EEA1, PCTP, TTPA CA2 3233/4885CA1 3070/4885CA4 2874/4885
US-20030194371-A1 (Ethylene)-(propylene) - triaminepentaacetic acid derivatives, process for their production, and their use for the production of pharmaceutical agents PGD, AADAT, TRHDE CA2 3967/4885CA1 1901/4885CA4 1491/4885

“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.