SCHEMBL4937541

SCHEMBL4937541

Cc1cccc(C(=O)CCC(=O)O)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 4/20 0.62
WNT3A P56704 4/20 0.62
NR4A2 P43354 1/20 0.62
KMT2A Q03164 2/20 0.61
ALDH1A1 P00352 2/20 0.56
CYP2C19 P33261 2/20 0.56
GAA P10253 1/20 0.56
MEN1 O00255 1/20 0.54
PARP1 P09874 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.51
CYP1A2 P05177 2/20 0.50
HPGD P15428 2/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
FFAR1 O14842 1/20 0.50
LMNA P02545 1/20 0.50
RAB9A P51151 1/20 0.50
HIF1A Q16665 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
HSD17B10 Q99714 1/20 0.49

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
SCHEMBL29698182 1.00 CTNNB1 (0.62) CTNNB1WNT3ANR4A2KMT2AALDH1A1
SCHEMBL30089541 0.92 CTNNB1 (0.70) CTNNB1WNT3AKMT2AMEN1PARP1
SCHEMBL29062364 0.92 CTNNB1 (0.70) CTNNB1WNT3AKMT2AMEN1PARP1
SCHEMBL2743419 0.89 HDAC3 (0.58) CTNNB1WNT3ANR4A2KMT2AMEN1
SCHEMBL8533612 0.85 CTNNB1 (0.62) CTNNB1WNT3AKMT2AMEN1PARP1
SCHEMBL10790435 0.84 CTNNB1 (0.65) CTNNB1WNT3AKMT2AMEN1PARP1
SCHEMBL1421021 0.83 SMN1; SMN2 (0.58) CTNNB1WNT3AKMT2AMEN1PARP1
SCHEMBL2027904 0.83 CTNNB1 (0.59) CTNNB1WNT3AKMT2AALDH1A1MEN1
SCHEMBL10788703 0.83 CTNNB1 (0.64) CTNNB1WNT3AKMT2AMEN1PARP1
SCHEMBL15980082 0.82 CTNNB1 (0.63) CTNNB1WNT3AKMT2AALDH1A1MEN1

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114605272-B Preparation method of (R) -fluoxetine and derivatives thereof 中国科学技术大学 2023-09-08 CN disclosed
CN-114605272-A Preparation method of (R) -fluoxetine and derivative thereof 中国科学技术大学 2022-06-10 CN disclosed
WO-2021003295-A1 MODULATORS OF HSD17B13 AND METHODS OF USE THEREOF REGENERON PHARMACEUTICALS, INC. (US) 2021-01-07 WO disclosed
US-20080132536-A1 PYRAZOLO [3,4-B] PYRIDINE COMPOUNDS, AND THEIR USE AS PDE4 INHIBITORS GLAXO GROUP LIMITED 2008-06-05 US disclosed
US-20070111995-A1 Pyrazolo [3,4-B] pyridine Compounds and Their Use as Phosphodiesterase Inhibitors GLAXO GROUP LIMITED (GB) 2007-05-17 US disclosed
EP-1737857-A1 PYRAZOLO[3,4-B] PYRIDINE COMPOUNDS, AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS GLAXO GROUP LIMITED (GB) 2007-01-03 EP disclosed
WO-2005058892-A1 PYRAZOLO [3,4-B] PYRIDINE COMPOUNDS, AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS GLAXO GROUP LIMITED (GB) 2005-06-30 WO disclosed
EP-1100769-B1 AMINOMETHYLCARBOXYLIC ACID DERIVATIVES AKZO NOBEL NV (NL) 2002-12-04 EP disclosed
US-6410592-B1 THERAPY FOR CENTRAL NERVOUS SYSTEM DISORDERS, PSYCHOLOGICAL DISORDERS AKZO NOBEL N.V. (NL) 2002-06-25 US disclosed
EP-1100769-A1 AMINOMETHYLCARBOXYLIC ACID DERIVATIVES Akzo Nobel N.V. (NL) 2001-05-23 EP disclosed
WO-2000007978-A1 AMINOMETHYLCARBOXYLIC ACID DERIVATIVES AKZO NOBEL N.V. (NL) 2000-02-17 WO disclosed
US-5831073-A Ion triggered alkylation of biological targets by silyloxy aromatic agents THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1998-11-03 US disclosed
US-5493012-A Ion triggered alkylation of biological targets by silyloxy aromatic agents THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1996-02-20 US disclosed
US-5296350-A Ion triggered alkylation of biological targets by silyloxy aromatic agents THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1994-03-22 US disclosed
EP-0115133-B1 SPIRO-3-HETERO-AZOLONES FOR TREATMENT OF DIABETIC COMPLICATIONS PFIZER INC. (US) 1989-01-25 EP disclosed
US-4556670-A Spiro-3-hetero-azolones for treatment of diabetic complications PFIZER INC. (US) 1985-12-03 US disclosed
EP-0115133-A1 Spiro-3-hetero-azolones for treatment of diabetic complications PFIZER INC. (US) 1984-08-08 EP disclosed
US-3947460-A SEDATIVES-HYPNOTIC, TRANQUILIZER SANDOZ, INC. (US) 1976-03-30 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 (2 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-20080132536-A1 PYRAZOLO [3,4-B] PYRIDINE COMPOUNDS, AND THEIR USE AS PDE4 INHIBITORS PDE4A, PDE4B, PDE4C CTNNB1 2010/4885WNT3A 1476/4885NR4A2 287/4885
US-20070111995-A1 Pyrazolo [3,4-B] pyridine Compounds and Their Use as Phosphodiesterase Inhibitors PDE4B, PDE3B, PDE4A CTNNB1 2372/4885WNT3A 2717/4885NR4A2 708/4885

“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.