Sugi Predict

Sugi Predict / Compounds / SCHEMBL9892771

SCHEMBL9892771

SCHEMBL9892771

CC(C)[C@@H]1CC[C@]2(C(=O)NCCCN3CCS(=O)(=O)CC3)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC=C(c6ccc(C(=O)O)c(C(=O)O)c6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ UGT1A1 P22309 1/20 0.44
▸ NR1H4 Q96RI1 2/20 0.42

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
SCHEMBL9892764 0.95 UGT1A1 (0.44) UGT1A1NR1H4
SCHEMBL9892734 0.92 — —
SCHEMBL9892763 0.91 UGT1A1 (0.47) UGT1A1NR1H4
SCHEMBL16995381 0.90 UGT1A1 (0.42) UGT1A1NR1H4
SCHEMBL9109940 0.90 UGT1A1 (0.55) UGT1A1
SCHEMBL16512190 0.88 UGT1A1 (0.44) UGT1A1
SCHEMBL9892766 0.88 — —
SCHEMBL17761684 0.87 — —
SCHEMBL9892743 0.86 NR1H4 (0.46) UGT1A1NR1H4
SCHEMBL9892748 0.86 UGT1A1 (0.48) UGT1A1NR1H4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120142653-A1 C-28 AMIDES OF MODIFIED C-3 BETULINIC ACID DERIVATIVES AS HIV MATURATION INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-06-07 — — 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-20120142653-A1 C-28 AMIDES OF MODIFIED C-3 BETULINIC ACID DERIVATIVES AS HIV MATURATION INHIBITORS ERG28, BET1, BRD3 UGT1A1 780/4885NR1H4 2324/4885

“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.