SCHEMBL4692471

SCHEMBL4692471

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

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.54
CCR6 P51684 1/20 0.48
PAX8 Q06710 1/20 0.48
TDP1 Q9NUW8 2/20 0.45
MAPK1 P28482 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A3 Q01959 1/20 0.45
KMT2A Q03164 1/20 0.45
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
LMNA P02545 1/20 0.41
HCAR2 Q8TDS4 1/20 0.41
EGFR P00533 2/20 0.41
SIGMAR1 Q99720 1/20 0.40
ABCB1 P08183 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
MAOB P27338 1/20 0.40

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
SCHEMBL801192 0.92 CCR6 (0.54) ALDH1A1CCR6PAX8TDP1MAPK1
SCHEMBL2011988 0.88 ALDH1A1 (0.49) ALDH1A1CCR6PAX8TDP1MAPK1
SCHEMBL11298253 0.86 ALDH1A1 (0.51) ALDH1A1CCR6PAX8TDP1MAPK1
SCHEMBL8280919 0.85 ALDH1A1 (0.51) ALDH1A1CCR6PAX8TDP1MAPK1
SCHEMBL782974 0.84 ALDH1A1 (0.44) ALDH1A1CCR6PAX8TDP1MAPK1
SCHEMBL2787581 0.84 CCR6 (0.50) ALDH1A1CCR6PAX8TDP1MAPK1
SCHEMBL26749289 0.84 ALDH1A1 (0.50) ALDH1A1CCR6PAX8TDP1MAPK1
SCHEMBL13049197 0.83 CCR6 (0.50) ALDH1A1CCR6PAX8TDP1MAPK1
SCHEMBL928852 0.82 ALDH1A1 (0.49) ALDH1A1CCR6PAX8TDP1MAPK1
SCHEMBL20210834 0.82 ALDH1A1 (0.59) ALDH1A1CCR6PAX8TDP1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12049465-B2 Tricyclic compounds and their use as phosphodiesterase inhibitors PFIZER INC. (US) 2024-07-30 US disclosed
CN-107787322-B Tricyclic compounds and their use as phosphodiesterase inhibitors 辉瑞大药厂 2023-07-07 CN 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
US-20230002386-A1 TRICYCLIC COMPOUNDS AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS PFIZER INC. (US) 2023-01-05 US disclosed
US-11472805-B2 Tricyclic compounds and their use as phosphodiesterase inhibitors PFIZER, INC. (US) 2022-10-18 US disclosed
EP-3766885-B1 TRICYCLIC COMPOUNDS AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS PFIZER (US) 2022-05-25 EP disclosed
EP-3766885-B1 TRICYCLIC COMPOUNDS AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS PFIZER (US) 2022-05-25 EP disclosed
US-20190263816-A1 Tricyclic Compounds And Their Use As Phosphodiesterase Inhibitors PFIZER INC. (US) 2019-08-29 US disclosed
US-20190263816-A1 Tricyclic Compounds And Their Use As Phosphodiesterase Inhibitors PFIZER INC. (US) 2019-08-29 US disclosed
EP-3310784-A1 TRICYCLIC COMPOUNDS AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS Pfizer Inc (US) 2018-04-25 EP disclosed
WO-2016203347-A1 TRICYCLIC COMPOUNDS AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS PFIZER INC. (US) 2016-12-22 WO disclosed
WO-2016203347-A1 TRICYCLIC COMPOUNDS AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS PFIZER INC. (US) 2016-12-22 WO disclosed
EP-1677599-A4 HYDROXY PYRIDOPYRROLOPYRAZINE DIONE COMPOUNDS USEFUL AS HIV INTEGRASE INHIBITORS MERCK & CO INC (US) 2008-10-22 EP disclosed
US-7435735-B2 Hydroxy pyridopyrrolopyrazine dione compounds useful as HIV integrase inhibitors MERCK & CO., INC. (US) 2008-10-14 US disclosed
US-20070093496-A1 Hydroxy pyridopyrrolopyrazine dione compounds useful as hiv integrase inhibitors MERCK SHARP & DOHME CORP. 2007-04-26 US disclosed
EP-1677599-A1 HYDROXY PYRIDOPYRROLOPYRAZINE DIONE COMPOUNDS USEFUL AS HIV INTEGRASE INHIBITORS Merck & Co., Inc. (US) 2006-07-12 EP disclosed
WO-2005041664-A1 HYDROXY PYRIDOPYRROLOPYRAZINE DIONE COMPOUNDS USEFUL AS HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2005-05-12 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 (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-12049465-B2 Tricyclic compounds and their use as phosphodiesterase inhibitors PDE3B, PDE3A, PDE5A ALDH1A1 972/4885CCR6 3090/4885PAX8 4752/4885
US-20230146535-A1 TRICYCLIC COMPOUNDS AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS PDE3B, PDE3A, PDE5A ALDH1A1 972/4885CCR6 3090/4885PAX8 4752/4885
US-11472805-B2 Tricyclic compounds and their use as phosphodiesterase inhibitors PDE3B, PDE3A, PDE5A ALDH1A1 972/4885CCR6 3090/4885PAX8 4752/4885
US-20190263816-A1 Tricyclic Compounds And Their Use As Phosphodiesterase Inhibitors PDE3B, PDE3A, PDE5A ALDH1A1 972/4885CCR6 3090/4885PAX8 4752/4885
US-20070093496-A1 Hydroxy pyridopyrrolopyrazine dione compounds useful as hiv integrase inhibitors DHPS, DPYD, TYMP ALDH1A1 815/4885CCR6 2082/4885PAX8 2064/4885
US-20230002386-A1 TRICYCLIC COMPOUNDS AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS PDE3B, PDE3A, PDE5A ALDH1A1 972/4885CCR6 3090/4885PAX8 4752/4885

“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.