SCHEMBL21987189

SCHEMBL21987189

CC(C)(C)OC(=O)CC1CC1C(=O)CC(=O)O

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.32
▸ BTK Q06187 1/20 0.32
▸ GABRR1 P24046 4/20 0.32
▸ GABRR2 P28476 1/20 0.32

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
SCHEMBL22051227 0.83 GAA (0.40) EPHX2
SCHEMBL30354284 0.83 GAA (0.40) EPHX2
SCHEMBL21987681 0.83 GABRR1 (0.48) EPHX2BTKGABRR1GABRR2
SCHEMBL21413387 0.83 GABRR1 (0.48) EPHX2BTKGABRR1GABRR2
SCHEMBL18797542 0.83 GABRR1 (0.48) EPHX2BTKGABRR1GABRR2
SCHEMBL18797562 0.83 GABRR1 (0.48) EPHX2BTKGABRR1GABRR2
SCHEMBL20983291 0.80 DGAT1 (0.33) EPHX2
SCHEMBL20983294 0.80 DGAT1 (0.33) EPHX2
SCHEMBL19456106 0.80 DGAT1 (0.33) EPHX2
SCHEMBL7431807 0.73 SLC6A12 (0.41) BTKGABRR1GABRR2

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
US-11639350-B2 Heteroaryldihydropyrimidine derivatives and methods of treating hepatitis B infections JANSSEN PHARMACEUTICA NV (BE) 2023-05-02 — — US disclosed
US-20200172532-A1 HETEROARYLDIHYDROPYRIMIDINE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS JANSSEN PHARMACEUTICA NV (BE) 2020-06-04 — — US disclosed
CN-110809574-A Heteroaryl dihydropyrimidine derivatives and methods for treating hepatitis b infection 詹森药业有限公司 2020-02-18 — — CN 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 (2 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-20200172532-A1 HETEROARYLDIHYDROPYRIMIDINE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS HAVCR2, HCCS, PYGL EPHX2 1439/4885BTK 2331/4885GABRR1 1156/4885
US-11639350-B2 Heteroaryldihydropyrimidine derivatives and methods of treating hepatitis B infections HCCS, HAVCR2, NR1H4 EPHX2 708/4885BTK 2559/4885GABRR1 1504/4885

“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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