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Sugi Predict / Compounds / SCHEMBL304588

SCHEMBL304588

SCHEMBL304588

CC(C)(C)OC(=O)NC(Cc1cn(Cc2ccccc2)nn1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 2/20 0.56
▸ PPARA Q07869 3/20 0.52
▸ PTPN1 P18031 8/20 0.51
▸ CDC25B P30305 7/20 0.51
▸ PTPN2 P17706 4/20 0.51
▸ CDC25A P30304 3/20 0.51
▸ PPARG P37231 2/20 0.49
▸ CTSS P25774 2/20 0.47
▸ CTSL P07711 1/20 0.47
▸ CTSB P07858 1/20 0.47
▸ CTSK P43235 1/20 0.47
▸ PTPN6 P29350 1/20 0.46
▸ PTPN11 Q06124 1/20 0.46
▸ MME P08473 1/20 0.46
▸ MAPK1 P28482 1/20 0.46

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
SCHEMBL3331695 1.00 ACE (0.56) ACEPPARAPTPN1CDC25BPTPN2
SCHEMBL3784417 0.91 PPARA (0.52) ACEPPARAPTPN1CDC25BPTPN2
SCHEMBL18183914 0.90 PTPN1 (0.49) ACEPPARAPTPN1CDC25BPTPN2
SCHEMBL10132030 0.90 PTPN1 (0.49) ACEPPARAPTPN1CDC25BPTPN2
SCHEMBL756405 0.90 PTPN1 (0.49) ACEPPARAPTPN1CDC25BPTPN2
SCHEMBL305197 0.89 CYP19A1 (0.49) —
SCHEMBL19701644 0.87 PTPN1 (0.43) ACEPPARAPTPN1CDC25BPTPN2
SCHEMBL3789613 0.87 HDAC1 (0.49) ACEPPARAPTPN1CDC25BPTPN2
SCHEMBL18681590 0.85 CYP19A1 (0.44) ACEPTPN1CDC25BPTPN2CDC25A
SCHEMBL29034539 0.85 ACE (0.49) ACEPPARAPTPN1CDC25BPTPN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3681875-B1 CYCLIC PEPTIDE ANTIBIOTICS HOFFMANN LA ROCHE (CH) 2026-01-14 — — EP disclosed
US-11279735-B2 Cyclic peptide antibiotics GENENTECH, INC. (US) 2022-03-22 — — US disclosed
US-20200331968-A1 CYCLIC PEPTIDE ANTIBIOTICS GENENTECH, INC. (US) 2020-10-22 — — US disclosed
CN-111148739-A Cyclopeptide antibiotics 豪夫迈·罗氏有限公司 2020-05-12 — — CN disclosed
EP-2499127-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-09-05 — — EP disclosed
US-20170355689-A1 HEPATITIS C VIRUS INHIBITOR BRISTOL MYERS SQUIBB CO (US) 2017-12-14 — — US disclosed
US-20170320833-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-11-09 — — US disclosed
EP-2601188-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-10-18 — — EP disclosed
US-9776981-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-10-03 — — US disclosed
US-9758487-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-12 — — US disclosed
US-20090068140-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-03-12 — — US disclosed
US-20080311075-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-12-18 — — US disclosed
US-20080299075-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2008-12-04 — — US disclosed
WO-2008144380-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-27 — — WO disclosed
US-20080050336-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-02-28 — — US disclosed
WO-2008021936-A2 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-02-21 — — WO disclosed
WO-2008021928-A2 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-02-21 — — WO disclosed
WO-2008021927-A2 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-02-21 — — WO disclosed
US-20080044379-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-02-21 — — US disclosed
US-20080044380-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-02-21 — — 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 (10 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-20170355689-A1 HEPATITIS C VIRUS INHIBITOR HAVCR2, LIPC, PYGL ACE 805/4885PPARA 2134/4885PTPN1 1848/4885
US-20200331968-A1 CYCLIC PEPTIDE ANTIBIOTICS NPPA, LNPEP, CLPP ACE 221/4885PPARA 455/4885PTPN1 652/4885
US-20080050336-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS ACE 865/4885PPARA 1887/4885PTPN1 1524/4885
US-20090068140-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, PYGL, HCCS ACE 865/4885PPARA 1887/4885PTPN1 1524/4885
US-20080299075-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, PYGL, HCCS ACE 865/4885PPARA 1887/4885PTPN1 1524/4885
US-20080044379-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS ACE 865/4885PPARA 1887/4885PTPN1 1524/4885
US-20170320833-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, PYGL, HCCS ACE 865/4885PPARA 1887/4885PTPN1 1524/4885
US-11279735-B2 Cyclic peptide antibiotics NPPA, LNPEP, CLPP ACE 221/4885PPARA 455/4885PTPN1 652/4885
US-20080044380-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS ACE 865/4885PPARA 1887/4885PTPN1 1524/4885
US-20080311075-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS ACE 865/4885PPARA 1887/4885PTPN1 1524/4885

“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.