SCHEMBL17838289

SCHEMBL17838289

Cn1cc(C(=O)C(=O)NC(C)(C)C)c(F)c1C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.36
APEX1 P27695 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.33
CYP2C9 P11712 1/20 0.33
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 2/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
MAPK1 P28482 1/20 0.32
MAP2K1 Q02750 2/20 0.32
NPC1 O15118 1/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 1/20 0.31
MAP2K2 P36507 1/20 0.30

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
SCHEMBL16416854 0.85 SMN1; SMN2 (0.33) SMN1; SMN2CYP2C9ALDH1A1KDM4EGLA
SCHEMBL20458747 0.79 POLB (0.34) POLBAPEX1SMN1; SMN2ALDH1A1NPC1
SCHEMBL21408397 0.79 KDM4E (0.35) SMN1; SMN2CYP2C9ALDH1A1KDM4EGLA
SCHEMBL28854915 0.74 POLB (0.34) POLBAPEX1SMN1; SMN2ALDH1A1MAP2K1
SCHEMBL16417232 0.72 NR4A2 (0.35) POLBAPEX1KDM4EHPGD
SCHEMBL17838273 0.72 ALDH1A1 (0.30) SMN1; SMN2ALDH1A1
SCHEMBL17838281 0.72 BAZ2B (0.36) ALDH1A1KDM4EGAAMAP2K1HTT
SCHEMBL16416501 0.72 USP2 (0.37) POLBAPEX1KDM4E
SCHEMBL28854899 0.71 POLB (0.36) POLBAPEX1SMN1; SMN2CYP2C9ALDH1A1
SCHEMBL22906126 0.71 NR4A2 (0.39) KDM4E

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 POLB 31/4885APEX1 1372/4885SMN1; SMN2 4855/4885
US-20160176817-A1 GLYOXAMIDE SUBSTITUTED PYRROLAMIDE DERIVATIVES AND THE USE THEREOF AS MEDICAMENTS FOR THE TREATMENT OF HEPATITIS B GRHPR, AGXT, GLS2 POLB 31/4885APEX1 1372/4885SMN1; SMN2 4855/4885

“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.