SCHEMBL17838276

SCHEMBL17838276

CCOC(=O)C(=O)c1cn(C)c(C(=O)OC)c1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BAZ2B Q9UIF8 1/20 0.45
BAZ2A Q9UIF9 1/20 0.45
GPR35 Q9HC97 5/20 0.38
ALDH1A1 P00352 4/20 0.37
NR4A2 P43354 1/20 0.35
ABCB1 P08183 2/20 0.35
CYP2C9 P11712 3/20 0.35
CYP1A2 P05177 3/20 0.35
CYP2C19 P33261 3/20 0.35
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 2/20 0.35
CYP3A4 P08684 2/20 0.35
KMT2A Q03164 2/20 0.35
HIF1A Q16665 2/20 0.35
HSD17B10 Q99714 2/20 0.35
LMNA P02545 2/20 0.35
GAA P10253 2/20 0.35
HPGD P15428 1/20 0.35
TP53 P04637 1/20 0.35
CYP2D6 P10635 1/20 0.35

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
SCHEMBL16416413 0.81 NR4A2 (0.40) BAZ2BBAZ2AALDH1A1NR4A2CYP1A2
SCHEMBL21408349 0.80 BAZ2B (0.40) BAZ2BBAZ2AALDH1A1NR4A2KMT2A
SCHEMBL16416800 0.77 BAZ2B (0.46) BAZ2BBAZ2AALDH1A1CYP1A2CYP2C19
SCHEMBL16417232 0.75 NR4A2 (0.35) BAZ2BBAZ2ANR4A2CYP1A2CYP2C19
SCHEMBL17838308 0.74 BAZ2B (0.43) BAZ2BBAZ2AALDH1A1CYP2C9CYP1A2
SCHEMBL21413174 0.74 BAZ2B (0.49) BAZ2BBAZ2AALDH1A1CYP1A2KDM4E
SCHEMBL29712820 0.72 BAZ2B (0.40) BAZ2BBAZ2AALDH1A1MAPTCNR1
SCHEMBL17838262 0.70 ALDH1A1 (0.36) ALDH1A1NR4A2CYP1A2CYP2C19KDM4E
SCHEMBL16417169 0.70 ALDH1A1 (0.36) ALDH1A1NR4A2CYP1A2CYP2C19KDM4E
SCHEMBL29712831 0.70 MAPT (0.36) ALDH1A1NR4A2MEN1KMT2AHPGD

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
CN-111601788-B Capsid protein assembly inhibitor, pharmaceutical composition and use thereof 正大天晴药业集团股份有限公司 2022-06-14 CN disclosed
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
CN-111601788-A Capsid protein assembly inhibitor, pharmaceutical composition and use thereof 正大天晴药业集团股份有限公司 2020-08-28 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 212/4885GPR35 1713/4885
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 212/4885GPR35 1713/4885

“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.