SCHEMBL18799005

SCHEMBL18799005

CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@H]4[C@H]5C(C6(C)CC6)CC[C@]5(C(=O)O)CC[C@@]4(C)[C@]3(C)CC[C@H]2C1(C)C

nearest known ligand 0.80

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 7/20 0.68
▸ NT5E P21589 2/20 0.62
▸ PRKCD Q05655 1/20 0.62

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
SCHEMBL15854472 1.00 GPBAR1 (0.68) GPBAR1NT5EPRKCD
SCHEMBL15362614 1.00 GPBAR1 (0.68) GPBAR1NT5EPRKCD
SCHEMBL15362635 0.91 GPBAR1 (0.57) GPBAR1
SCHEMBL15848559 0.91 GPBAR1 (0.57) GPBAR1
SCHEMBL23284058 0.90 GPBAR1 (0.82) GPBAR1NT5EPRKCD
SCHEMBL9130783 0.89 GPBAR1 (0.80) GPBAR1NT5EPRKCD
SCHEMBL13814595 0.89 GPBAR1 (0.80) GPBAR1NT5EPRKCD
SCHEMBL23284121 0.89 GPBAR1 (0.80) GPBAR1NT5EPRKCD
SCHEMBL15714058 0.88 GPBAR1 (0.73) GPBAR1NT5EPRKCD
SCHEMBL3781851 0.87 GPBAR1 (0.84) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230174570-A1 NOVEL TRITERPENE DERIVATIVES AS HIV INHIBITORS HETERO LABS LIMITED (IN) 2023-06-08 — — US disclosed
US-9637516-B2 Betulinic acid proline derivatives as HIV inhibitors HETERO RESEARCH FOUNDATION (IN) 2017-05-02 — — 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-20230174570-A1 NOVEL TRITERPENE DERIVATIVES AS HIV INHIBITORS CYP51A1, CCR5, CYP4A11 GPBAR1 1643/4885NT5E 2855/4885PRKCD 1079/4885

“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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