SCHEMBL5355644

SCHEMBL5355644

CC(=O)O[C@@H](Cc1ccccc1)C(=O)Cl

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SRR Q9GZT4 2/20 0.50
PPARG P37231 8/20 0.48
PPARA Q07869 8/20 0.48
CTRB1 P17538 4/20 0.47
ACE P12821 1/20 0.46
ALDH1A1 P00352 1/20 0.46
ALPI P09923 1/20 0.46
PKM P14618 1/20 0.46
PTGS1 P23219 1/20 0.46
XIAP P98170 1/20 0.46
SLC7A5 Q01650 1/20 0.46
CYP1A2 P05177 1/20 0.44

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
SCHEMBL5349209 1.00 SRR (0.50) SRRPPARGPPARACTRB1ACE
SCHEMBL5349207 1.00 SRR (0.50) SRRPPARGPPARACTRB1ACE
SCHEMBL2053 0.86 SRR (0.53) SRRPPARGPPARACTRB1ACE
SCHEMBL1486321 0.86 SRR (0.62) SRRPPARGPPARAACEALPI
SCHEMBL1486323 0.86 SRR (0.62) SRRPPARGPPARAACEALPI
SCHEMBL2626716 0.86 SRR (0.62) SRRPPARGPPARAACEALPI
SCHEMBL27769333 0.83 ACE (0.51) SRRPPARGPPARAACE
SCHEMBL29156974 0.83 SRR (0.54) SRRPPARGPPARACTRB1ACE
SCHEMBL3712940 0.83 PPARG (0.51) SRRPPARGPPARACTRB1ACE
SCHEMBL11436318 0.80 MMP8 (0.54) SRRPPARGPPARAACEALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7176229-B2 Cyclic AMP-specific phosphodiesterase inhibitors ICOS CORPORATION (US) 2007-02-13 US disclosed
EP-1242400-B1 PYRROLIDINE DERIVATIVES AS CYCLIC AMP-SPECIFIC PHOSPHODIESTERASE INHIBITORS ICOS CORP (US) 2006-05-03 EP disclosed
US-20060074123-A1 Cyclic AMP-specific phosphodiesterase inhibitors ICOS CORPORATION (US) 2006-04-06 US disclosed
US-6998416-B2 Cyclic AMP-specific phosphodiesterase inhibitors ICOS CORPORATION (US) 2006-02-14 US disclosed
US-20040152754-A1 Cyclic AMP-specific phosphodiesterase inhibitors ICOS CORPORATION (A WASHINGTON CORPORATION) 2004-08-05 US disclosed
US-6716871-B2 OBESITY; INFLAMMATORY DISEASES, DISEASES INVOLVING ELEVATED LEVELS OF CYTOKINES, CENTRAL NERVOUS SYSTEM DISORDERS; 3-HYDROXYALKYL-4-DIALKOXYPHENYL-SUBSTITUTED PYRROLIDINES ICOS CORPORATION 2004-04-06 US disclosed
US-20040023945-A1 CYCLIC AMP-SPECIFIC PHOSPHODIESTERASE INHIBITORS ICOS CORPORATION 2004-02-05 US disclosed
US-6423710-B1 Cyclic AMP-specific phosphodiesterase inhibitors ICOS CORPORATION 2002-07-23 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 (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-20040023945-A1 CYCLIC AMP-SPECIFIC PHOSPHODIESTERASE INHIBITORS PDE4A, PDE4B, PDE7A SRR 2945/4885PPARG 2310/4885PPARA 2458/4885
US-20040152754-A1 Cyclic AMP-specific phosphodiesterase inhibitors PDE4A, PDE4B, PDE7A SRR 2945/4885PPARG 2310/4885PPARA 2458/4885
US-20060074123-A1 Cyclic AMP-specific phosphodiesterase inhibitors PDE4A, PDE4B, PDE7A SRR 2945/4885PPARG 2310/4885PPARA 2458/4885

“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.