SCHEMBL21679201

SCHEMBL21679201

CCOC(=O)c1cnc(C2CCC(C(=O)O)CC2)nc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOS P01100 1/20 0.44
JUN P05412 1/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
RAB9A P51151 1/20 0.44
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
ALDH1A1 P00352 2/20 0.41
CSNK1D P48730 1/20 0.40
ELANE P08246 2/20 0.39
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
FDFT1 P37268 1/20 0.38
POLB P06746 1/20 0.38
PKM P14618 1/20 0.37
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37

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
SCHEMBL3563228 0.91 FOS (0.49) FOSJUNNFKB1NFKB2RELA
SCHEMBL30908327 0.85 CSNK1D (0.48) FOSJUNNFKB1NFKB2RELA
SCHEMBL21679402 0.84 FOS (0.43) FOSJUNNFKB1NFKB2RELA
SCHEMBL11072669 0.82 CYP2C9 (0.44) FOSJUNNFKB1NFKB2RELA
SCHEMBL11072671 0.82 CYP2C9 (0.44) FOSJUNNFKB1NFKB2RELA
SCHEMBL21679289 0.82 GABRG2 (0.44) FOSJUNNFKB1NFKB2RELA
SCHEMBL21679405 0.75 LMNA (0.41) RAB9ACYP2C9CYP2C19ALDH1A1ELANE
SCHEMBL20588963 0.75 HPGDS (0.52) FOSJUNNFKB1NFKB2RELA
SCHEMBL24933715 0.74 MAPK1 (0.49) FOSJUNNFKB1NFKB2RELA
SCHEMBL25953861 0.74 MAPK1 (0.49) FOSJUNNFKB1NFKB2RELA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220348571-A1 DIHYDROPYRIMIDINE DERIVATIVES AND USES THEREOF IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES JANSSEN SCIENCES IRELAND UNLIMITED CO (US) 2022-11-03 US disclosed
US-11053235-B2 Substituted 1,4-dihydropyrimidines for the treatment of HBV infection or HBV-induced diseases Janssen Sciences Ireland Unlimited Company (IE) 2021-07-06 US disclosed
US-11053235-B2 Substituted 1,4-dihydropyrimidines for the treatment of HBV infection or HBV-induced diseases Janssen Sciences Ireland Unlimited Company (IE) 2021-07-06 US disclosed
EP-3814326-A1 DIHYDROPYRIMIDINE DERIVATIVES AND USES THEREOF IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES Janssen Sciences Ireland Unlimited Company (IE) 2021-05-05 EP disclosed
CN-112513017-A Dihydropyrimidine derivatives and their use in the treatment of HBV infection or HBV-induced diseases 爱尔兰詹森科学公司 2021-03-16 CN disclosed
US-20200048242-A1 DIHYDROPYRIMIDINE DERIVATIVES AND USES THEREOF IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES Janssen Sciences Ireland Unlimited Company (IE) 2020-02-13 US disclosed
US-20200048242-A1 DIHYDROPYRIMIDINE DERIVATIVES AND USES THEREOF IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES Janssen Sciences Ireland Unlimited Company (IE) 2020-02-13 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 (3 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-20220348571-A1 DIHYDROPYRIMIDINE DERIVATIVES AND USES THEREOF IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES DPYD, HAVCR2, TYMP FOS 3808/4885JUN 2493/4885NFKB1 634/4885
US-11053235-B2 Substituted 1,4-dihydropyrimidines for the treatment of HBV infection or HBV-induced diseases DPYD, TYMP, HAVCR2 FOS 2849/4885JUN 989/4885NFKB1 346/4885
US-20200048242-A1 DIHYDROPYRIMIDINE DERIVATIVES AND USES THEREOF IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES DPYD, HAVCR2, TYMP FOS 3808/4885JUN 2493/4885NFKB1 634/4885

“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.