SCHEMBL5057133

SCHEMBL5057133

N=C(N)NCCNC(=O)CCCCCNC(=O)CCNC(=S)Nc1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CA9 Q16790 16/20 0.64
▸ CA1 P00915 15/20 0.64
▸ CA2 P00918 15/20 0.64
▸ CA12 O43570 7/20 0.64
▸ CA14 Q9ULX7 3/20 0.62
▸ CA7 P43166 2/20 0.62
▸ ADORA3 P0DMS8 1/20 0.52
▸ ADORA2A P29274 1/20 0.52
▸ ADORA1 P30542 1/20 0.52
▸ FKBP1A P62942 2/20 0.52

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
SCHEMBL24444501 0.90 CA9 (0.72) CA9CA1CA2CA12CA14
SCHEMBL20999896 0.88 CA1 (0.59) CA9CA1CA2CA12CA14
SCHEMBL14642801 0.88 CA1 (0.67) CA9CA1CA2CA12CA14
SCHEMBL23027406 0.86 CA1 (0.68) CA9CA1CA2CA12CA14
SCHEMBL13915130 0.86 CA9 (0.73) CA9CA1CA2CA12CA14
SCHEMBL5057128 0.86 CA9 (0.59) CA9CA1CA2CA12CA14
SCHEMBL18653006 0.86 CA1 (0.65) CA9CA1CA2CA12CA14
SCHEMBL12678101 0.85 CA9 (0.72) CA9CA1CA2CA12CA14
SCHEMBL5057140 0.85 ALB (0.50) CA9CA1CA2CA12CA14
SCHEMBL14754541 0.85 CA1 (0.67) CA9CA1CA2CA12CA14

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-7862807-B2 Dendrimers as molecular translocators UNIVERSITY OF CALIFORNIA, SAN DIEGO (US) 2011-01-04 — — US disclosed
US-20080221020-A1 Dendrimers as Molecular Translocators THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-09-11 — — US disclosed
US-20060216265-A1 Dendrimers as molecular translocators THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2006-09-28 — — US disclosed
WO-2004009666-A2 DENDRIMERS AS MOLECULAR TRANSLOCATORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2004-01-29 — — 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-20060216265-A1 Dendrimers as molecular translocators SLC29A1, SLC29A2, TSPO CA9 3425/4885CA1 4290/4885CA2 2620/4885
US-20080221020-A1 Dendrimers as Molecular Translocators SLC29A1, SLC29A2, TSPO CA9 3425/4885CA1 4290/4885CA2 2620/4885

“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.

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