SCHEMBL5553832

SCHEMBL5553832

O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CC[N+](CC(=O)O)(CC(=O)O)Cc1ccc(NC(=O)CI)cc1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CA1 P00915 20/20 0.46
CA2 P00918 20/20 0.46
CA4 P22748 11/20 0.46
CA12 O43570 5/20 0.46
CA9 Q16790 5/20 0.46

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
SCHEMBL19177279 0.80 CA1 (0.53) CA1CA2CA4CA12CA9
SCHEMBL2597556 0.80 TDP1 (0.44) CA1CA2CA4CA12CA9
SCHEMBL668012 0.79 TDP1 (0.41) CA1CA2CA4CA12CA9
SCHEMBL7367941 0.75 KCNH2 (0.51) CA1CA2CA4CA12CA9
SCHEMBL1230833 0.74 HSD17B10 (0.39) CA1CA2CA4CA12CA9
SCHEMBL6047697 0.73 CA1 (0.64) CA1CA2CA4CA12CA9
SCHEMBL15499792 0.72 CA1 (0.75) CA1CA2CA4CA12CA9
SCHEMBL13523700 0.72 CA1 (0.66) CA1CA2CA4CA12CA9
SCHEMBL5322282 0.71 CA1 (0.44) CA1CA2CA4CA12CA9
SCHEMBL16113686 0.68 TDP1 (0.58) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007113386-A1 PEPTIDE CONJUGATES KARYON-CTT LTD (FI) 2007-10-11 WO disclosed
US-20070231258-A1 Peptide conjugates KARYON CTT LTD. (FI) 2007-10-04 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-20070231258-A1 Peptide conjugates PTMS, QPCT, CTH CA1 793/4885CA2 3250/4885CA4 1920/4885

“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.