SCHEMBL17838281

SCHEMBL17838281

CCOC(=O)c1c(F)c(C(=O)C(=O)NC(C)(C)CO)cn1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BAZ2B Q9UIF8 1/20 0.36
BAZ2A Q9UIF9 1/20 0.36
PDK1 Q15118 1/20 0.36
PDK2 Q15119 1/20 0.36
PDK3 Q15120 1/20 0.36
PDK4 Q16654 1/20 0.36
MAP2K2 P36507 1/20 0.35
MAP2K1 Q02750 1/20 0.35
STAT3 P40763 1/20 0.33
KMT2A Q03164 2/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
ESR1 P03372 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
ESR2 Q92731 1/20 0.32
CA14 Q9ULX7 1/20 0.32
TP53 P04637 1/20 0.32
HTT P42858 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
SCHEMBL17838285 0.79 BAZ2B (0.43) BAZ2BBAZ2AMAP2K2MAP2K1STAT3
SCHEMBL17838308 0.79 BAZ2B (0.43) BAZ2BBAZ2AMAP2K2MAP2K1STAT3
SCHEMBL16416973 0.77 BAZ2B (0.40) BAZ2BBAZ2APDK1PDK2PDK3
SCHEMBL16421490 0.70 GRM4 (0.41)
SCHEMBL21699985 0.69 BAZ2B (0.43) BAZ2BBAZ2AMAP2K2MAP2K1STAT3
SCHEMBL31443298 0.69 LMNA (0.45) BAZ2BBAZ2ASTAT3KMT2ACA12
SCHEMBL16237225 0.68 LMNA (0.38) PDK1PDK2PDK3PDK4KMT2A
SCHEMBL17700812 0.68 KMT2A (0.39) BAZ2BBAZ2ASTAT3KMT2ACA12
SCHEMBL21700027 0.68 MAPT (0.40) BAZ2BBAZ2ASTAT3KMT2ACA12
SCHEMBL21699997 0.67 CA1 (0.47) BAZ2BBAZ2AKMT2ACA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108047115-B Glyoxylamide-substituted pyrrole amide derivatives and their use as medicaments for the treatment of hepatitis B 爱尔兰詹森科学公司 2021-06-29 CN disclosed
US-10450270-B2 Glyoxamide substituted pyrrolamide derivatives and the use thereof as medicaments for the treatment of hepatitis B JANSSEN SCIENCES IRELAND UC (IE) 2019-10-22 US disclosed
EP-3357906-A1 GLYOXAMIDE SUBSTITUTED PYRROLAMIDE DERIVATIVES AND THE USE THEREOF AS MEDICAMENTS FOR THE TREATMENT OF HEPATITIS B Janssen Sciences Ireland UC (IE) 2018-08-08 EP disclosed
EP-3024819-B1 GLYOXAMIDE SUBSTITUTED PYRROLAMIDE DERIVATIVES AND THE USE THEREOF AS MEDICAMENTS FOR THE TREATMENT OF HEPATITIS B JANSSEN SCIENCES IRELAND UC (IE) 2018-02-21 EP disclosed
US-20160176817-A1 GLYOXAMIDE SUBSTITUTED PYRROLAMIDE DERIVATIVES AND THE USE THEREOF AS MEDICAMENTS FOR THE TREATMENT OF HEPATITIS B JANSSEN SCIENCES IRELAND UC (IE) 2016-06-23 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 (2 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-10450270-B2 Glyoxamide substituted pyrrolamide derivatives and the use thereof as medicaments for the treatment of hepatitis B GRHPR, AGXT, GLS2 BAZ2B 159/4885BAZ2A 212/4885PDK1 864/4885
US-20160176817-A1 GLYOXAMIDE SUBSTITUTED PYRROLAMIDE DERIVATIVES AND THE USE THEREOF AS MEDICAMENTS FOR THE TREATMENT OF HEPATITIS B GRHPR, AGXT, GLS2 BAZ2B 159/4885BAZ2A 212/4885PDK1 864/4885

“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.