SCHEMBL9888487

SCHEMBL9888487

C=C(C)[C@@H]1CC[C@]2(C(=O)OC)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC=C(c6cccc(OC=O)c6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EGLN2 Q96KS0 1/20 0.48
EGLN1 Q9GZT9 1/20 0.48
EGLN3 Q9H6Z9 1/20 0.48
P4HTM Q9NXG6 1/20 0.48

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
SCHEMBL9888513 0.93 GPBAR1 (0.56)
SCHEMBL9888560 0.92
SCHEMBL9110952 0.89
SCHEMBL9888600 0.89
SCHEMBL9888596 0.85 GPBAR1 (0.58)
SCHEMBL9888525 0.84
SCHEMBL9105649 0.84
SCHEMBL9891304 0.83
SCHEMBL16510822 0.82 GPBAR1 (0.60)
SCHEMBL9891361 0.81

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
US-8754068-B2 Modified C-3 betulinic acid derivatives as HIV maturation inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-06-17 US disclosed
US-20120142707-A1 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-20120142707-A1 MODIFIED C-3 BETULINIC ACID DERIVATIVES AS HIV MATURATION INHIBITORS BET1, BIRC3, CYTH3 EGLN2 1901/4885EGLN1 486/4885EGLN3 262/4885

“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.