SCHEMBL17380751

SCHEMBL17380751

CC(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)[C@H](O)C=C(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
GPBAR1 Q8TDU6 17/20 0.54
PRKCD Q05655 1/20 0.54
TDP1 Q9NUW8 2/20 0.47

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
SCHEMBL17380755 1.00 GPBAR1 (0.54) GPBAR1PRKCDTDP1
SCHEMBL19129813 0.93 GPBAR1 (0.54) GPBAR1PRKCDTDP1
SCHEMBL19124752 0.92 GPBAR1 (0.51) GPBAR1PRKCDTDP1
SCHEMBL19130160 0.89 GPBAR1 (0.51) GPBAR1PRKCDTDP1
SCHEMBL19129794 0.89 GPBAR1 (0.51) GPBAR1PRKCDTDP1
SCHEMBL17380653 0.86 GLI1 (0.57) GPBAR1
SCHEMBL17380565 0.86 GLI1 (0.57) GPBAR1
SCHEMBL19146231 0.86 GLI1 (0.57) GPBAR1
SCHEMBL17381014 0.84 GPBAR1 (0.51) GPBAR1PRKCD
SCHEMBL19129814 0.84 GPBAR1 (0.51) GPBAR1PRKCD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9920090-B2 Betulinic acid derivatives with HIV maturation inhibitory activity VIIV Healthcare UK (No.5) Limited (GB) 2018-03-20 US disclosed
US-9920090-B2 Betulinic acid derivatives with HIV maturation inhibitory activity VIIV Healthcare UK (No.5) Limited (GB) 2018-03-20 US disclosed
US-20170204133-A1 BETULINIC ACID DERIVATIVES WITH HIV MATURATION INHIBITORY ACTIVITY BRISTOL-MYERS SQUIBB COMPANY 2017-07-20 US disclosed
US-20170204133-A1 BETULINIC ACID DERIVATIVES WITH HIV MATURATION INHIBITORY ACTIVITY BRISTOL-MYERS SQUIBB COMPANY 2017-07-20 US disclosed
WO-2015195776-A1 BETULINIC ACID DERIVATIVES WITH HIV MATURATION INHIBITORY ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2015-12-23 WO 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-20170204133-A1 BETULINIC ACID DERIVATIVES WITH HIV MATURATION INHIBITORY ACTIVITY BET1, PGGT1B, TMPO GPBAR1 1377/4885PRKCD 4019/4885TDP1 3124/4885

“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.