SCHEMBL14738113

SCHEMBL14738113

C[C@@H](NC(=O)OC(C)(C)C)C(C)(F)F

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA7 P43166 1/20 0.50
CYP2D6 P10635 1/20 0.45
CTSK P43235 10/20 0.42
CTSS P25774 5/20 0.42
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
KMT2A Q03164 1/20 0.40
APLNR P35414 1/20 0.40
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CA12 O43570 1/20 0.39
CA14 Q9ULX7 1/20 0.39

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
SCHEMBL17700922 1.00 CA1 (0.50) CA1CA2CA7CYP2D6CTSK
SCHEMBL17857663 1.00 CA1 (0.50) CA1CA2CA7CYP2D6CTSK
SCHEMBL12493535 0.88 CA1 (0.50) CA1CA2CA7CYP2D6CTSK
SCHEMBL8142343 0.83 CA1 (0.58) CA1CA2CA7CYP2D6CTSK
SCHEMBL7922247 0.83 CA1 (0.58) CA1CA2CA7CYP2D6CTSK
SCHEMBL254254 0.83 CA1 (0.58) CA1CA2CA7CYP2D6CTSK
SCHEMBL31059651 0.81 CA1 (0.49) CA1CA2CA7CYP2D6CTSK
SCHEMBL2544315 0.81 CA1 (0.52) CA1CA2CA7CYP2D6CTSK
SCHEMBL2544316 0.81 CA1 (0.52) CA1CA2CA7CYP2D6CTSK
SCHEMBL1369819 0.81 CA1 (0.52) CA1CA2CA7CYP2D6CTSK

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11078193-B2 Sulphamoylpyrrolamide derivatives and the use thereof as medicaments for the treatment of hepatitis B JANSSEN SCIENCES IRELAND UC (IE) 2021-08-03 US 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
EP-3121164-B1 SULPHAMOYLPYRROLAMIDE DERIVATIVES AND THE USE THEREOF AS MEDICAMENTS FOR THE TREATMENT OF HEPATITIS B JANSSEN SCIENCES IRELAND UNLIMITED CO (IE) 2020-02-19 EP disclosed
US-20200039931-A1 SULPHAMOYLPYRROLAMIDE DERIVATIVES AND THE USE THEREOF AS MEDICAMENTS FOR THE TREATMENT OF HEPATITIS B JANSSEN SCIENCES IRELAND UC (IE) 2020-02-06 US disclosed
US-10457638-B2 Sulphamoylpyrrolamide derivatives and the use thereof as medicaments for the treatment of hepatitis B JANSSEN SCIENCES IRELAND UC (IE) 2019-10-29 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
US-10160743-B2 Sulphamoylthiophenamide derivatives and the use thereof as medicaments for the treatment of hepatitis B JANSSEN SCIENCES IRELAND UC (IE) 2018-12-25 US disclosed
EP-3102572-B1 SULPHAMOYLPYRROLAMIDE DERIVATIVES AND THE USE THEREOF AS MEDICAMENTS FOR THE TREATMENT OF HEPATITIS B JANSSEN SCIENCES IRELAND UC (IE) 2018-10-24 EP disclosed
EP-2997011-B1 SULPHAMOYLPYRROLAMIDE DERIVATIVES AND THE USE THEREOF AS MEDICAMENTS FOR THE TREATMENT OF HEPATITIS B JANSSEN SCIENCES IRELAND UC (IE) 2018-08-29 EP 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
US-20160115125-A1 SULPHAMOYLPYRROLAMIDE DERIVATIVES AND THE USE THEREOF AS MEDICAMENTS FOR THE TREATMENT OF HEPATITIS B JANSSEN SCIENCES IRELAND UC (IE) 2016-04-28 US disclosed
EP-2763990-A1 PYRROLOPYRAZINE KINASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2014-08-13 EP disclosed
US-8658646-B2 Pyrrolopyrazine kinase inhibitors HOFFMANN-LAROCHE INC. (US) 2014-02-25 US disclosed
US-8658646-B2 Pyrrolopyrazine kinase inhibitors HOFFMANN-LAROCHE INC. (US) 2014-02-25 US disclosed
US-8658646-B2 Pyrrolopyrazine kinase inhibitors HOFFMANN-LAROCHE INC. (US) 2014-02-25 US disclosed
WO-2013030138-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2013-03-07 WO disclosed
WO-2013030138-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2013-03-07 WO disclosed
US-20130059834-A1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN-LA ROCHE INC. 2013-03-07 US disclosed
US-20130059834-A1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN-LA ROCHE INC. 2013-03-07 US disclosed
US-20130059834-A1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN-LA ROCHE INC. 2013-03-07 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 (7 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-10160743-B2 Sulphamoylthiophenamide derivatives and the use thereof as medicaments for the treatment of hepatitis B HBS1L, SLC10A1, NR1H4 CA1 3927/4885CA2 3310/4885CA7 4063/4885
US-10450270-B2 Glyoxamide substituted pyrrolamide derivatives and the use thereof as medicaments for the treatment of hepatitis B GRHPR, AGXT, GLS2 CA1 2583/4885CA2 2091/4885CA7 3287/4885
US-10457638-B2 Sulphamoylpyrrolamide derivatives and the use thereof as medicaments for the treatment of hepatitis B RB1, XDH, HBS1L CA1 3259/4885CA2 2732/4885CA7 3878/4885
US-20200039931-A1 SULPHAMOYLPYRROLAMIDE DERIVATIVES AND THE USE THEREOF AS MEDICAMENTS FOR THE TREATMENT OF HEPATITIS B RB1, XDH, HBS1L CA1 3259/4885CA2 2732/4885CA7 3878/4885
US-11078193-B2 Sulphamoylpyrrolamide derivatives and the use thereof as medicaments for the treatment of hepatitis B RB1, SRR, RRP12 CA1 2929/4885CA2 2703/4885CA7 3949/4885
US-20130059834-A1 PYRROLOPYRAZINE KINASE INHIBITORS SYK, ZAP70, JAK1 CA1 4390/4885CA2 3251/4885CA7 4014/4885
US-20160115125-A1 SULPHAMOYLPYRROLAMIDE DERIVATIVES AND THE USE THEREOF AS MEDICAMENTS FOR THE TREATMENT OF HEPATITIS B RB1, XDH, HBS1L CA1 3259/4885CA2 2732/4885CA7 3878/4885

“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.