SCHEMBL9857550

SCHEMBL9857550

CC(=O)CC(CC(=O)O)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABBR2 O75899 1/20 0.63
GABBR1 Q9UBS5 1/20 0.63
MAPT P10636 3/20 0.60
KDM4E B2RXH2 2/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
RECQL P46063 1/20 0.51
FNTA P49354 3/20 0.51
FNTB P49356 3/20 0.51
POLB P06746 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.47
ATM Q13315 1/20 0.47
APEX1 P27695 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ALDH1A1 P00352 1/20 0.45
ITGB3 P05106 1/20 0.45
ITGAV P06756 1/20 0.45
MTNR1A P48039 1/20 0.45
MTNR1B P49286 1/20 0.45

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
SCHEMBL13559962 0.94 GABBR2 (0.53) GABBR2GABBR1MAPTKDM4EMEN1
SCHEMBL503819 0.89 GABBR2 (0.76) GABBR2GABBR1MAPTKDM4EMEN1
SCHEMBL6734410 0.87 GABBR2 (0.73) GABBR2GABBR1MAPTKDM4EMEN1
Hydrochloric Acid SCHEMBL7092228 0.87 GABBR2 (0.73) GABBR2GABBR1MAPTKDM4EMEN1
Alcohol SCHEMBL28575312 0.86 GABBR2 (0.66) GABBR2GABBR1MAPTKDM4EMEN1
SCHEMBL16588649 0.85 ALDH1A1 (0.59) GABBR2GABBR1MAPTKDM4EMEN1
SCHEMBL1500385 0.84 GABBR2 (0.48) GABBR2GABBR1MAPTKDM4EMEN1
SCHEMBL4445085 0.84 GABBR2 (0.48) GABBR2GABBR1MAPTKDM4EMEN1
SCHEMBL22607275 0.83 L3MBTL1 (0.69) GABBR2GABBR1MAPTKDM4EMEN1
SCHEMBL12771096 0.83 GABBR2 (0.44) GABBR2GABBR1MAPTKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-9688980-B2 Templated molecules and methods for using such molecules NUEVOLUTION (DK) 2017-06-27 US disclosed
US-20150315567-A1 TEMPLATED MOLECULES AND METHODS FOR USING SUCH MOLECULES NUEVOLUTION A/S (DK) 2015-11-05 US disclosed
US-8932992-B2 Templated molecules and methods for using such molecules NUEVOLUTION A/S (DK) 2015-01-13 US disclosed
US-RE43298-E1 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2012-04-03 US disclosed
US-20110117057-A1 NOVEL PEPTIDES AS NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS SCHERING CORPORATION (US) 2011-05-19 US disclosed
US-7595299-B2 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2009-09-29 US disclosed
US-7592316-B2 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2009-09-22 US disclosed
US-20070232549-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION 2007-10-04 US disclosed
US-7244721-B2 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2007-07-17 US disclosed
US-20070032433-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION CORVAS INTERNATIONAL, LTD. 2007-02-08 US disclosed
US-7169760-B2 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2007-01-30 US disclosed
US-5072023-A Reacting lactone with ester anion to form cyclohexenone ester; oxidizing or dehydrogenating the intermediate E. R. SQUIBB & SONS, INC. (US) 1991-12-10 US disclosed
EP-0442495-A1 Process for preparing highly substituted phenyls E.R. SQUIBB & SONS, INC. (US) 1991-08-21 EP disclosed
US-4072660-A FROM A 4-OXO-CARBOXYLIC ACID ESTER OR DELTA-ENOL-LACTONE AND STRONG BASE IN GLYCOL DIALKYL ETHER SOLVENT HOECHST AKTIENGESELLSCHAFT (DT) 1978-02-07 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-20070232549-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus HPN, TMPRSS15, VIP GABBR2 4575/4885GABBR1 4640/4885MAPT 4113/4885
US-20110117057-A1 NOVEL PEPTIDES AS NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS HPN, TMPRSS15, VIP GABBR2 4575/4885GABBR1 4640/4885MAPT 4113/4885
US-20070032433-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus HPN, TMPRSS15, VIP GABBR2 4575/4885GABBR1 4640/4885MAPT 4113/4885

“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.