SCHEMBL21678992

SCHEMBL21678992

CCOC(=O)CC(=O)C1CCC(c2ncc(C(=O)OCC)o2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.41
MAPT P10636 3/20 0.41
NLRP3 Q96P20 1/20 0.40
TP53 P04637 4/20 0.39
RAB9A P51151 2/20 0.36
GAA P10253 2/20 0.34
POLB P06746 1/20 0.34
HIF1A Q16665 1/20 0.34
ELANE P08246 1/20 0.34
KMT2A Q03164 2/20 0.34
GSK3B P49841 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 2/20 0.33
ALOX15 P16050 1/20 0.33
FOS P01100 1/20 0.33
JUN P05412 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
NMT2 O60551 1/20 0.33

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
SCHEMBL17870481 0.88 NLRP3 (0.45) LMNAMAPTNLRP3TP53KMT2A
SCHEMBL21679405 0.85 LMNA (0.41) LMNAMAPTNLRP3TP53RAB9A
SCHEMBL31705029 0.80 PDE4B (0.43) LMNAMAPTNLRP3TP53PDE4B
SCHEMBL21679402 0.77 FOS (0.43) MAPTTP53RAB9APOLBELANE
SCHEMBL21680007 0.77 PSMB8 (0.40) LMNAMAPTTP53RAB9AGAA
SCHEMBL19556060 0.76 REV1 (0.41) LMNAMAPTNLRP3GAAPOLB
SCHEMBL21679172 0.76 NLRP3 (0.40) NLRP3TP53RAB9AGAAKMT2A
SCHEMBL30046852 0.75 SMYD3 (0.40) LMNAMAPTRAB9AGAAKMT2A
SCHEMBL21679392 0.74 MEN1 (0.36) LMNAMAPTRAB9AGAAKMT2A
SCHEMBL21679494 0.74 NLRP3 (0.35) LMNAMAPTNLRP3RAB9AGAA

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 4 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
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

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 LMNA 2722/4885MAPT 4190/4885NLRP3 791/4885
US-11053235-B2 Substituted 1,4-dihydropyrimidines for the treatment of HBV infection or HBV-induced diseases DPYD, TYMP, HAVCR2 LMNA 3609/4885MAPT 4307/4885NLRP3 1234/4885
US-20200048242-A1 DIHYDROPYRIMIDINE DERIVATIVES AND USES THEREOF IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES DPYD, HAVCR2, TYMP LMNA 2722/4885MAPT 4190/4885NLRP3 791/4885

“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.