SCHEMBL18205451

SCHEMBL18205451

CCC([O])(NC(=O)OC(C)(C)C)C(=O)OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.44
PTPRB P23467 1/20 0.37
CA12 O43570 3/20 0.37
CA14 Q9ULX7 3/20 0.37
CA1 P00915 2/20 0.37
CA7 P43166 2/20 0.37
CA2 P00918 2/20 0.37
TDP1 Q9NUW8 1/20 0.36
KMT2A Q03164 3/20 0.35
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 2/20 0.34
GAA P10253 1/20 0.34
CTSK P43235 2/20 0.33
APLNR P35414 1/20 0.33
EPHX1 P07099 1/20 0.33
CTSS P25774 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
DRD2 P14416 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
SCHEMBL18205347 0.83 CTSK (0.41) CA12CA14CA1CA7CA2
SCHEMBL29383045 0.79 DGAT1 (0.45) DGAT1PTPRBCA12CA14CA1
SCHEMBL4792294 0.79 DGAT1 (0.45) DGAT1PTPRBCA12CA14CA1
SCHEMBL88463 0.79 DGAT1 (0.45) DGAT1PTPRBCA12CA14CA1
SCHEMBL1411640 0.76 DGAT1 (0.42) DGAT1PTPRBCA12CA14CA1
SCHEMBL16279015 0.75 PTPRB (0.43) DGAT1PTPRBCA12CA14CA1
SCHEMBL16279014 0.75 PTPRB (0.43) DGAT1PTPRBCA12CA14CA1
SCHEMBL31514890 0.75 DGAT1 (0.38) DGAT1PTPRBCA12CA14CA1
SCHEMBL1374814 0.74 DGAT1 (0.52) DGAT1PTPRBCA12CA14CA1
SCHEMBL4616898 0.74 CA1 (0.42) DGAT1CA12CA14CA1CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107624113-B Tetrahydropyridopyrimidines and tetrahydropyridopyridines as inhibitors of HBsAg (HBV surface antigen) and HBV DNA production for the treatment of hepatitis B virus infection 豪夫迈·罗氏有限公司 2020-10-23 CN claimed
EP-3292120-B1 TETRAHYDROPYRIDOPYRIMIDINES AND TETRAHYDROPYRIDOPYRIDINES AS INHIBITORS OF HBSAG (HBV SURFACE ANTIGEN) AND HBV DNA PRODUCTION FOR THE TREATMENT OF HEPATITIS B VIRUS INFECTIONS HOFFMANN LA ROCHE (CH) 2019-06-19 EP claimed
US-9845322-B2 Tetrahydropyridopyrimidines and tetrahydropyridopyridines for the treatment and prophylaxis of hepatitis B virus infection HOFFMANN-LA ROCHE INC. (US) 2017-12-19 US claimed
US-20160326167-A1 Novel Tetrahydropyridopyrimidines and Tetrahydropyridopyridines for the Treatment and Prophylaxis of Hepatitis B Virus Infection HOFFMANN-LA ROCHE INC. (US) 2016-11-10 US claimed
US-20220096527-A1 PAPD5 AND PAPD7 INHIBITORS FOR TREATING A HEPATITIS B INFECTION HOFFMANN-LA ROCHE INC. (US) 2022-03-31 US disclosed
US-11191775-B2 PAPD5 and PAPD7 inhibitors for treating a hepatitis B infection HOFFMANN-LA ROCHE INC. (US) 2021-12-07 US disclosed
US-20190194768-A1 PAPD5 AND PAPD7 INHIBITORS FOR TREATING A HEPATITIS B INFECTION HOFFMANN-LA ROCHE INC. (US) 2019-06-27 US disclosed
US-9845322-B2 Tetrahydropyridopyrimidines and tetrahydropyridopyridines for the treatment and prophylaxis of hepatitis B virus infection HOFFMANN-LA ROCHE INC. (US) 2017-12-19 US disclosed
US-20160326167-A1 Novel Tetrahydropyridopyrimidines and Tetrahydropyridopyridines for the Treatment and Prophylaxis of Hepatitis B Virus Infection HOFFMANN-LA ROCHE INC. (US) 2016-11-10 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 (4 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-20190194768-A1 PAPD5 AND PAPD7 INHIBITORS FOR TREATING A HEPATITIS B INFECTION HAVCR2, BRD7, ZC3HAV1 DGAT1 3480/4885PTPRB 1202/4885CA12 3275/4885
US-20160326167-A1 Novel Tetrahydropyridopyrimidines and Tetrahydropyridopyridines for the Treatment and Prophylaxis of Hepatitis B Virus Infection TPMT, DPYD, HAVCR2 DGAT1 4570/4885PTPRB 1407/4885CA12 4767/4885
US-11191775-B2 PAPD5 and PAPD7 inhibitors for treating a hepatitis B infection HAVCR2, BRD7, ZC3HAV1 DGAT1 3480/4885PTPRB 1202/4885CA12 3275/4885
US-20220096527-A1 PAPD5 AND PAPD7 INHIBITORS FOR TREATING A HEPATITIS B INFECTION HAVCR2, BRD7, BAZ2B DGAT1 3289/4885PTPRB 1233/4885CA12 3554/4885

“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.