SCHEMBL9106995

SCHEMBL9106995

C=C(C)[C@@H]1CC[C@]2(C(=O)NCCc3ccccn3)CC[C@]3(C)[C@H](CCC4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 2/20 0.64
▸ LMNA P02545 1/20 0.64
▸ NT5E P21589 1/20 0.64
▸ SMN1; SMN2 Q16637 1/20 0.64
▸ RORC P51449 11/20 0.56
▸ EGLN2 Q96KS0 1/20 0.54
▸ EGLN1 Q9GZT9 1/20 0.54
▸ EGLN3 Q9H6Z9 1/20 0.54
▸ P4HTM Q9NXG6 1/20 0.54
▸ MGAM O43451 1/20 0.52
▸ GAA P10253 1/20 0.52
▸ SI P14410 1/20 0.52
▸ MGAM2 Q2M2H8 1/20 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
SCHEMBL9892755 1.00 GPBAR1 (0.64) GPBAR1LMNANT5ESMN1; SMN2RORC
SCHEMBL16986649 1.00 GPBAR1 (0.64) GPBAR1LMNANT5ESMN1; SMN2RORC
SCHEMBL12558031 0.88 RORC (0.72) GPBAR1LMNANT5ERORCEGLN2
SCHEMBL12557918 0.85 PRKCG (0.61) NT5ERORC
SCHEMBL9106728 0.83 — —
SCHEMBL13628265 0.83 GPBAR1 (0.64) GPBAR1LMNANT5ESMN1; SMN2RORC
SCHEMBL9891251 0.83 RORC (0.56) NT5ERORCEGLN2EGLN1EGLN3
SCHEMBL9109658 0.83 GPBAR1 (0.72) GPBAR1LMNANT5ESMN1; SMN2RORC
SCHEMBL9108720 0.83 GPBAR1 (0.72) GPBAR1LMNANT5ESMN1; SMN2RORC
SCHEMBL9107709 0.82 — —

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-8802661-B2 C-28 amides of modified C-3 betulinic acid derivatives as HIV maturation inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-08-12 — — US disclosed
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 GPBAR1 2177/4885LMNA 2335/4885NT5E 3212/4885

“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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