Sugi Predict

Sugi Predict / Compounds / SCHEMBL801192

SCHEMBL801192

SCHEMBL801192

O=C(O)CN(CC(=O)O)C(=O)OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCR6 P51684 1/20 0.54
▸ PAX8 Q06710 1/20 0.54
▸ ALDH1A1 P00352 5/20 0.53
▸ TDP1 Q9NUW8 2/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ SLC6A2 P23975 1/20 0.52
▸ SLC6A3 Q01959 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ LMNA P02545 3/20 0.47
▸ HCAR2 Q8TDS4 1/20 0.47
▸ MAPT P10636 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ MMP2 P08253 1/20 0.44
▸ MMP9 P14780 1/20 0.44
▸ MMP12 P39900 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ CA12 O43570 1/20 0.43
▸ CA1 P00915 1/20 0.43

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
SCHEMBL2011988 0.92 ALDH1A1 (0.49) CCR6PAX8ALDH1A1TDP1MAPK1
SCHEMBL4692471 0.92 ALDH1A1 (0.54) CCR6PAX8ALDH1A1TDP1MAPK1
SCHEMBL2787581 0.91 CCR6 (0.50) CCR6PAX8ALDH1A1TDP1MAPK1
SCHEMBL11298253 0.90 ALDH1A1 (0.51) CCR6PAX8ALDH1A1TDP1MAPK1
SCHEMBL28460823 0.89 CCR6 (0.55) CCR6PAX8ALDH1A1TDP1MAPK1
SCHEMBL13049197 0.87 CCR6 (0.50) CCR6PAX8ALDH1A1TDP1MAPK1
SCHEMBL19382504 0.87 CCR6 (0.50) CCR6PAX8ALDH1A1TDP1MAPK1
SCHEMBL11257530 0.87 CCR6 (0.47) CCR6PAX8ALDH1A1TDP1MAPK1
SCHEMBL6581785 0.86 ALDH1A1 (0.47) CCR6PAX8ALDH1A1TDP1MAPK1
SCHEMBL11430773 0.86 ALDH1A1 (0.47) CCR6PAX8ALDH1A1TDP1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230190950-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF BACTERIAL INFECTIONS CIDARA THERAPEUTICS, INC. 2023-06-22 — — US disclosed
US-20230190950-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF BACTERIAL INFECTIONS CIDARA THERAPEUTICS, INC. 2023-06-22 — — US disclosed
US-20230190950-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF BACTERIAL INFECTIONS CIDARA THERAPEUTICS, INC. 2023-06-22 — — US disclosed
US-20230165970-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF BACTERIAL INFECTIONS CIDARA THERAPEUTICS, INC. 2023-06-01 — — US disclosed
US-20230165970-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF BACTERIAL INFECTIONS CIDARA THERAPEUTICS, INC. 2023-06-01 — — US disclosed
US-20230165970-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF BACTERIAL INFECTIONS CIDARA THERAPEUTICS, INC. 2023-06-01 — — US disclosed
US-20230146535-A1 TRICYCLIC COMPOUNDS AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS PFIZER INC. (US) 2023-05-11 — — US disclosed
US-20230146535-A1 TRICYCLIC COMPOUNDS AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS PFIZER INC. (US) 2023-05-11 — — US disclosed
US-20230146535-A1 TRICYCLIC COMPOUNDS AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS PFIZER INC. (US) 2023-05-11 — — US disclosed
US-20230002386-A1 TRICYCLIC COMPOUNDS AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS PFIZER INC. (US) 2023-01-05 — — US disclosed
WO-2005041664-A1 HYDROXY PYRIDOPYRROLOPYRAZINE DIONE COMPOUNDS USEFUL AS HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2005-05-12 — — WO disclosed
EP-0914333-B1 PEPTIDE DERIVATIVES ASTRAZENECA AB (SE) 2004-11-24 — — EP disclosed
US-20030195158-A1 Peptide derivatives SYNGENTA LIMITED (GB) 2003-10-16 — — US disclosed
US-6541453-B2 Amino acid sequences for use in the treatment of autoimmune or inflammatory diseases SYNGENTA LIMITED (GB) 2003-04-01 — — US disclosed
US-20020103335-A1 PEPTIDE DERIVATIVES ASTRAZENECA UK LIMITED (GB) 2002-08-01 — — US disclosed
US-6019959-A Oligomeric compounds that contain perfluoroalkyl, process for their production, and their use in NMR diagnosis SCHERING AKTIENGESELLSCHAFT (DE) 2000-02-01 — — US disclosed
EP-0914333-A1 PEPTIDE DERIVATIVES ZENECA LIMITED (GB) 1999-05-12 — — EP disclosed
WO-1997046578-A1 PEPTIDE DERIVATIVES ZENECA LIMITED (GB) 1997-12-11 — — WO disclosed
US-4596791-A Containing heterocyclic fused ring USV PHARMACEUTICAL CORP. (US) 1986-06-24 — — US disclosed
EP-0121830-A2 Substituted dipeptides as antihypertensives USV PHARMACEUTICAL CORPORATION (US) 1984-10-17 — — EP 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 (6 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-20030195158-A1 Peptide derivatives HLA-DRB1, MICA, CD74 CCR6 48/4885PAX8 3015/4885ALDH1A1 4164/4885
US-20230190950-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF BACTERIAL INFECTIONS FCGR3B, FCGR1A, FCGR2A CCR6 349/4885PAX8 3735/4885ALDH1A1 4869/4885
US-20020103335-A1 PEPTIDE DERIVATIVES HLA-DRB1, MICA, TAP1 CCR6 87/4885PAX8 1787/4885ALDH1A1 1773/4885
US-20230146535-A1 TRICYCLIC COMPOUNDS AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS PDE3B, PDE3A, PDE5A CCR6 3090/4885PAX8 4752/4885ALDH1A1 972/4885
US-20230165970-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF BACTERIAL INFECTIONS FCGR3B, FCGR1A, FCGR2A CCR6 349/4885PAX8 3735/4885ALDH1A1 4869/4885
US-20230002386-A1 TRICYCLIC COMPOUNDS AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS PDE3B, PDE3A, PDE5A CCR6 3090/4885PAX8 4752/4885ALDH1A1 972/4885

“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.