SCHEMBL15917601

SCHEMBL15917601

CC(CC(=O)O)[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 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 Q96RI1 13/20 0.53
▸ RORC P51449 4/20 0.49
▸ GPBAR1 Q8TDU6 2/20 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
SCHEMBL20957462 0.94 NR1H4 (0.59) NR1H4RORCGPBAR1
SCHEMBL20993902 0.94 NR1H4 (0.59) NR1H4RORCGPBAR1
SCHEMBL9105004 0.94 NR1H4 (0.59) NR1H4RORCGPBAR1
SCHEMBL20993903 0.89 NR1H4 (0.57) NR1H4RORCGPBAR1
SCHEMBL20957456 0.89 NR1H4 (0.57) NR1H4RORCGPBAR1
SCHEMBL9106823 0.87 NR1H4 (0.65) NR1H4GPBAR1
SCHEMBL9107213 0.87 NR1H4 (0.65) NR1H4GPBAR1
SCHEMBL9107955 0.86 NR1H4 (0.61) NR1H4RORCGPBAR1
SCHEMBL20957457 0.86 NR1H4 (0.61) NR1H4RORCGPBAR1
SCHEMBL20993922 0.86 NR1H4 (0.50) NR1H4GPBAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014123889-A1 C-19 MODIFIED TRITERPENOIDS WITH HIV MATURATION INHIBITORY ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2014-08-14 — — WO disclosed
US-20140221361-A1 C-19 MODIFIED TRITERPENOIDS WITH HIV MATURATION INHIBITORY ACTIVITY VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2014-08-07 — — US disclosed
US-20140221361-A1 C-19 MODIFIED TRITERPENOIDS WITH HIV MATURATION INHIBITORY ACTIVITY VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2014-08-07 — — 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-20140221361-A1 C-19 MODIFIED TRITERPENOIDS WITH HIV MATURATION INHIBITORY ACTIVITY CYP51A1, UGT2B17, CYP4A22 NR1H4 2397/4885RORC 410/4885GPBAR1 3608/4885

“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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