SCHEMBL9891246

SCHEMBL9891246

C=C(C)[C@@H]1CC[C@]2(C(=O)NCCN(C)C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](c6ccc(C(=O)O)cc6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12

nearest known ligand 0.72

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 14/20 0.68
▸ NT5E P21589 1/20 0.55
▸ EGLN2 Q96KS0 1/20 0.54
▸ EGLN1 Q9GZT9 1/20 0.54
▸ EGLN3 Q9H6Z9 1/20 0.54
▸ P4HTM Q9NXG6 1/20 0.54
▸ USP2 O75604 1/20 0.53
▸ LMNA P02545 1/20 0.53
▸ HIF1A Q16665 1/20 0.53
▸ PTPN1 P18031 1/20 0.53

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
SCHEMBL15918667 0.91 RORC (0.56) RORCNT5E
SCHEMBL15918670 0.91 RORC (0.56) RORCNT5E
SCHEMBL20993927 0.88 RORC (0.52) RORCNT5E
SCHEMBL20957462 0.88 NR1H4 (0.59) RORC
SCHEMBL20993902 0.88 NR1H4 (0.59) RORC
SCHEMBL9105004 0.88 NR1H4 (0.59) RORC
SCHEMBL9891251 0.86 RORC (0.56) RORCNT5EEGLN2EGLN1EGLN3
SCHEMBL15917601 0.86 NR1H4 (0.53) RORC
SCHEMBL9108939 0.84 — —
SCHEMBL20957456 0.83 NR1H4 (0.57) RORC

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-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
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 RORC 1695/4885NT5E 3212/4885EGLN2 1058/4885

“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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