SCHEMBL18797542

SCHEMBL18797542

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

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GABRR1 P24046 4/20 0.48
▸ GABRR2 P28476 1/20 0.48
▸ BTK Q06187 1/20 0.38
▸ CA1 P00915 8/20 0.36
▸ CA2 P00918 8/20 0.36
▸ CA9 Q16790 4/20 0.36
▸ CA12 O43570 4/20 0.36
▸ GRM2 Q14416 2/20 0.35
▸ FFAR4 Q5NUL3 1/20 0.33
▸ NR1H2 P55055 1/20 0.33
▸ GRM3 Q14832 1/20 0.33
▸ EPHX2 P34913 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
SCHEMBL18797562 1.00 GABRR1 (0.48) GABRR1GABRR2BTKCA1CA2
SCHEMBL21987681 1.00 GABRR1 (0.48) GABRR1GABRR2BTKCA1CA2
SCHEMBL21413387 1.00 GABRR1 (0.48) GABRR1GABRR2BTKCA1CA2
SCHEMBL21987189 0.83 EPHX2 (0.32) GABRR1GABRR2BTKEPHX2
SCHEMBL20983294 0.82 DGAT1 (0.33) CA2CA12NR1H2EPHX2
SCHEMBL19456106 0.82 DGAT1 (0.33) CA2CA12NR1H2EPHX2
SCHEMBL20983291 0.82 DGAT1 (0.33) CA2CA12NR1H2EPHX2
SCHEMBL14070058 0.79 GABRR1 (0.48) GABRR1GABRR2CA1CA2CA9
SCHEMBL5856757 0.79 GABRR1 (0.48) GABRR1GABRR2CA1CA2CA9
SCHEMBL5856801 0.79 GABRR1 (0.48) GABRR1GABRR2CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108137542-B Pyridone dicarboxamides as bromodomain inhibitors 葛兰素史克知识产权第二有限公司 2023-10-27 — — CN disclosed
US-11639350-B2 Heteroaryldihydropyrimidine derivatives and methods of treating hepatitis B infections JANSSEN PHARMACEUTICA NV (BE) 2023-05-02 — — US disclosed
US-11639350-B2 Heteroaryldihydropyrimidine derivatives and methods of treating hepatitis B infections JANSSEN PHARMACEUTICA NV (BE) 2023-05-02 — — US disclosed
US-11639350-B2 Heteroaryldihydropyrimidine derivatives and methods of treating hepatitis B infections JANSSEN PHARMACEUTICA NV (BE) 2023-05-02 — — US disclosed
EP-3368036-B1 MACROCYCLIC PYRIDINE-N-OXIDE DERIVATIVES AS FACTOR XIA INHIBITORS MERCK SHARP & DOHME LLC (US) 2022-07-20 — — EP disclosed
CN-108884083-B Benzo [ B ] furans as bromodomain inhibitors 葛兰素史克知识产权第二有限公司 2022-02-25 — — CN disclosed
CN-108430471-B Factor XIa inhibitors 默沙东公司 2021-07-09 — — CN disclosed
US-10927080-B2 Pyridinone dicarboxamide for use as bromodomain inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2021-02-23 — — US disclosed
US-20200172532-A1 HETEROARYLDIHYDROPYRIMIDINE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS JANSSEN PHARMACEUTICA NV (BE) 2020-06-04 — — 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
US-10428026-B2 Pyridinone dicarboxamide for use as bromodomain inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2019-10-01 — — US disclosed
WO-2019001420-A1 HETEROARYLDIHYDROPYRIMIDINE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS JANSSEN PHARMACEUTICA NV (BE) 2019-01-03 — — WO disclosed
US-20180339977-A1 FACTOR XIA INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-11-29 — — US disclosed
US-20180258044-A1 PYRIDINONE DICARBOXAMIDE FOR USE AS BROMODOMAIN INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2018-09-13 — — US disclosed
EP-3368036-A1 FACTOR XIA INHIBITORS Merck Sharp & Dohme Corp. (US) 2018-09-05 — — EP disclosed
WO-2017074832-A1 FACTOR XIa INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-05-04 — — 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 (6 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-10428026-B2 Pyridinone dicarboxamide for use as bromodomain inhibitors BRD4, BRD3, BRDT GABRR1 2169/4885GABRR2 2213/4885BTK 331/4885
US-20200172532-A1 HETEROARYLDIHYDROPYRIMIDINE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS HAVCR2, HCCS, PYGL GABRR1 1156/4885GABRR2 1188/4885BTK 2331/4885
US-20180339977-A1 FACTOR XIA INHIBITORS F11, SERPINC1, TFPI GABRR1 3623/4885GABRR2 3597/4885BTK 1001/4885
US-20180258044-A1 PYRIDINONE DICARBOXAMIDE FOR USE AS BROMODOMAIN INHIBITORS BRD4, BRD3, BRDT GABRR1 2169/4885GABRR2 2213/4885BTK 331/4885
US-11639350-B2 Heteroaryldihydropyrimidine derivatives and methods of treating hepatitis B infections HCCS, HAVCR2, NR1H4 GABRR1 1504/4885GABRR2 1675/4885BTK 2559/4885
US-10927080-B2 Pyridinone dicarboxamide for use as bromodomain inhibitors BRD4, BRD3, BRDT GABRR1 2169/4885GABRR2 2213/4885BTK 331/4885

“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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