SCHEMBL18205347

SCHEMBL18205347

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 9/20 0.41
CTSS P25774 8/20 0.41
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
CA1 P00915 3/20 0.38
CA7 P43166 3/20 0.38
CA12 O43570 3/20 0.38
CA14 Q9ULX7 3/20 0.38
TDP1 Q9NUW8 1/20 0.37
CA2 P00918 2/20 0.36
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
HTT P42858 1/20 0.35
APLNR P35414 1/20 0.34
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34

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
SCHEMBL18205451 0.83 DGAT1 (0.44) CTSKCTSSMEN1GAAKMT2A
SCHEMBL88462 0.78 CTSK (0.41) CTSKCTSSMEN1GAAKMT2A
SCHEMBL29382780 0.78 CTSK (0.41) CTSKCTSSMEN1GAAKMT2A
SCHEMBL3713995 0.78 CTSK (0.41) CTSKCTSSMEN1GAAKMT2A
SCHEMBL1979477 0.78 CTSK (0.45) CTSKCTSSMEN1GAAKMT2A
SCHEMBL2837383 0.78 CTSK (0.45) CTSKCTSSMEN1GAAKMT2A
SCHEMBL1979479 0.78 CTSK (0.45) CTSKCTSSMEN1GAAKMT2A
SCHEMBL2330292 0.76 CTSK (0.40) CTSKCTSSMEN1GAAKMT2A
SCHEMBL4236950 0.76 CTSK (0.40) CTSKCTSSMEN1GAAKMT2A
SCHEMBL4616898 0.75 CA1 (0.42) CTSKCTSSMEN1GAAKMT2A

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 10 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
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 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 CTSK 2758/4885CTSS 3327/4885MEN1 4333/4885
US-20160326167-A1 Novel Tetrahydropyridopyrimidines and Tetrahydropyridopyridines for the Treatment and Prophylaxis of Hepatitis B Virus Infection TPMT, DPYD, HAVCR2 CTSK 3836/4885CTSS 3247/4885MEN1 3716/4885
US-11191775-B2 PAPD5 and PAPD7 inhibitors for treating a hepatitis B infection HAVCR2, BRD7, ZC3HAV1 CTSK 2758/4885CTSS 3327/4885MEN1 4333/4885
US-20220096527-A1 PAPD5 AND PAPD7 INHIBITORS FOR TREATING A HEPATITIS B INFECTION HAVCR2, BRD7, BAZ2B CTSK 2702/4885CTSS 3323/4885MEN1 4191/4885

“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.