SCHEMBL3331695

SCHEMBL3331695

CC(C)(C)OC(=O)N[C@@H](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
SCHEMBL304588 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 11 patents. 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
CN-111148739-B Cyclic peptide antibiotics 豪夫迈·罗氏有限公司 2025-06-03 CN 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
US-8669266-B2 Quinoline-carboxamide derivatives as P2Y12 antagonists SANOFI (FR) 2014-03-11 US disclosed
EP-2210882-A1 Synthesis of new protected azahistidine, their processes and their use in synthesises Commissariat à l'Énergie Atomique et aux Énergies Alternatives (FR) 2010-07-28 EP disclosed
WO-2010081882-A2 SYNTHESIS OF NEW PROTECTED AZAHISTIDINES, THEIR PROCESSES AND THEIR USE IN SYNTHESISES COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2010-07-22 WO disclosed
US-20100135999-A1 QUINOLINE-CARBOXAMIDE DERIVATIVES AS P2Y12 ANTAGONISTS SANOFI-AVENTIS (FR) 2010-06-03 US disclosed
EP-2148871-A1 QUINOLINE-CARBOXAMIDE DERIVATIVES AS P2Y12 ANTAGONISTS Sanofi-Aventis (FR) 2010-02-03 EP disclosed
WO-2008128647-A1 QUINOLINE-CARBOXAMIDE DERIVATIVES AS P2Y12 ANTAGONISTS SANOFI-AVENTIS (FR) 2008-10-30 WO 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 (3 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-20200331968-A1 CYCLIC PEPTIDE ANTIBIOTICS NPPA, LNPEP, CLPP ACE 221/4885PPARA 455/4885PTPN1 652/4885
US-20100135999-A1 QUINOLINE-CARBOXAMIDE DERIVATIVES AS P2Y12 ANTAGONISTS P2RY12, P2RY1, P2RY2 ACE 2099/4885PPARA 750/4885PTPN1 1384/4885
US-11279735-B2 Cyclic peptide antibiotics NPPA, LNPEP, CLPP ACE 221/4885PPARA 455/4885PTPN1 652/4885

“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.