SCHEMBL17838309

SCHEMBL17838309

C[C@@H](NC(=O)C(=O)c1cn(C)c(C(=O)Nc2ccc(F)c(C#N)c2)c1Br)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC10A1 Q14973 15/20 0.43
GRM4 Q14833 1/20 0.40
AR P10275 2/20 0.35
PGR P06401 1/20 0.35
FSCN1 Q16658 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
SCHEMBL17838271 0.91 SLC10A1 (0.44) SLC10A1GRM4ARFSCN1
SCHEMBL16421467 0.90 SLC10A1 (0.47) SLC10A1GRM4FSCN1
SCHEMBL30388015 0.87 SLC10A1 (0.46) SLC10A1GRM4FSCN1
SCHEMBL21428047 0.87 SLC10A1 (0.46) SLC10A1GRM4FSCN1
SCHEMBL19873174 0.87 SLC10A1 (0.46) SLC10A1GRM4ARFSCN1
SCHEMBL28902832 0.87 SLC10A1 (0.46) SLC10A1GRM4FSCN1
SCHEMBL20455511 0.85 GRM4 (0.40) SLC10A1GRM4ARPGR
SCHEMBL17838304 0.85 GRM4 (0.40) SLC10A1GRM4ARPGR
SCHEMBL17838298 0.84 SLC10A1 (0.49) SLC10A1GRM4
SCHEMBL19873178 0.84 SLC10A1 (0.49) SLC10A1GRM4

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 10 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 claimed
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 claimed
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 claimed
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 claimed
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
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
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 SLC10A1 64/4885GRM4 2037/4885AR 3664/4885
US-20160176817-A1 GLYOXAMIDE SUBSTITUTED PYRROLAMIDE DERIVATIVES AND THE USE THEREOF AS MEDICAMENTS FOR THE TREATMENT OF HEPATITIS B GRHPR, AGXT, GLS2 SLC10A1 64/4885GRM4 2037/4885AR 3664/4885

“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.