SCHEMBL272806

SCHEMBL272806

CC(C)(C)OC(=O)NC(CO)Cc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.59
PTPN1 P18031 3/20 0.58
BCL2 P10415 1/20 0.57
PPARA Q07869 2/20 0.50
HDAC8 Q9BY41 1/20 0.50
SYK P43405 1/20 0.50
YAP1 P46937 2/20 0.49
REN P00797 1/20 0.49
APP P05067 1/20 0.49
ITGB3 P05106 1/20 0.49
ITGA2B P08514 1/20 0.49
PPARG P37231 2/20 0.49
LTA4H P09960 1/20 0.49
MMP9 P14780 1/20 0.48
MMP8 P22894 1/20 0.48
CTSS P25774 2/20 0.48
CTSL P07711 1/20 0.48
CTSB P07858 1/20 0.48
CTSK P43235 1/20 0.48
CYP3A4 P08684 1/20 0.48

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
SCHEMBL5410539 1.00 ATM (0.59) ATMPTPN1BCL2PPARAHDAC8
SCHEMBL272406 1.00 ATM (0.59) ATMPTPN1BCL2PPARAHDAC8
SCHEMBL15564732 0.91 RXRA (0.54) ATMPTPN1BCL2PPARAHDAC8
SCHEMBL2617278 0.91 ATM (0.57) ATMPTPN1BCL2PPARAHDAC8
SCHEMBL12532787 0.90 ATM (0.58) ATMPTPN1BCL2PPARAHDAC8
SCHEMBL2617274 0.90 ATM (0.58) ATMPTPN1BCL2PPARAHDAC8
SCHEMBL272433 0.90 ATM (0.71) ATMPTPN1BCL2PPARAHDAC8
SCHEMBL273464 0.90 ATM (0.58) ATMPTPN1BCL2PPARAHDAC8
SCHEMBL273465 0.90 ATM (0.58) ATMPTPN1BCL2PPARAHDAC8
SCHEMBL5888032 0.90 ATM (0.58) ATMPTPN1BCL2PPARAHDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8741938-B2 Compounds that are useful for improving pharmacokinetics ABBVIE INC. (US) 2014-06-03 US disclosed
US-20130317071-A1 NOVEL COMPOUNDS THAT ARE USEFUL FOR IMPROVING PHARMACOKINETICS ABBVIE INC (US) 2013-11-28 US disclosed
US-8524753-B2 Compounds that are useful for improving pharmacokinetics ABBVIE INC. (US) 2013-09-03 US disclosed
US-20120184559-A1 NOVEL COMPOUNDS THAT ARE USEFUL FOR IMPROVING PHARMACOKINETICS ABBOTT LABORATORIES (US) 2012-07-19 US disclosed
US-8133892-B2 Compounds that are useful for improving pharmacokinetics ABBOTT LABORATORIES (US) 2012-03-13 US disclosed
US-20100280248-A1 NOVEL COMPOUNDS THAT ARE USEFUL FOR IMPROVING PHARMACOKINETICS ABBOTT LABORATORIES (US) 2010-11-04 US disclosed
US-7786153-B2 Compounds that are useful for improving pharmacokinetics ABBOTT LABORATORIES INC. (US) 2010-08-31 US disclosed
US-20090131420-A1 Novel Heterocyclic Analogs of Biphenyl Ethers ORCHID RESEARCH LABORATORIES, LTD. (IN) 2009-05-21 US disclosed
US-20080267888-A1 Heterocyclic Derivatives ORCHID RESEARCH LABORATORIES LIMITED (IN) 2008-10-30 US disclosed
US-7253194-B2 Compounds and inhibitors of phospholipases THE UNIVERSITY OF QUEENSLAND (AU) 2007-08-07 US disclosed
US-7253194-B2 Compounds and inhibitors of phospholipases THE UNIVERSITY OF QUEENSLAND (AU) 2007-08-07 US disclosed
US-20060199851-A1 Novel compounds that are useful for improving pharmacokinetics ABBVIE INC. 2006-09-07 US disclosed
US-7026335-B2 Melanocortin receptor ligands THE PROCTER & GAMBLE CO. (US) 2006-04-11 US disclosed
US-20050171158-A1 Melanocortin receptor ligands EBETINO FRANK H (US) 2005-08-04 US disclosed
US-20040033995-A1 Compounds and inhibitors of phospholipases QUEENSLAND, THE UNIVERSITY OF (AU) 2004-02-19 US disclosed
US-20030236230-A1 Melanocortin receptor ligands THE PROCTER & GAMBLE COMPANY 2003-12-25 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 (9 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-20120184559-A1 NOVEL COMPOUNDS THAT ARE USEFUL FOR IMPROVING PHARMACOKINETICS CYP11B1, CYP11B2, CYP7A1 ATM 4747/4885PTPN1 3084/4885BCL2 4347/4885
US-20080267888-A1 Heterocyclic Derivatives CYP11B2, MAPT, UGT1A1 ATM 4378/4885PTPN1 3665/4885BCL2 4481/4885
US-20060199851-A1 Novel compounds that are useful for improving pharmacokinetics CYP11B1, CYP11B2, CYP7A1 ATM 4747/4885PTPN1 3084/4885BCL2 4347/4885
US-20100280248-A1 NOVEL COMPOUNDS THAT ARE USEFUL FOR IMPROVING PHARMACOKINETICS CYP11B1, CYP11B2, CYP7A1 ATM 4747/4885PTPN1 3084/4885BCL2 4347/4885
US-20130317071-A1 NOVEL COMPOUNDS THAT ARE USEFUL FOR IMPROVING PHARMACOKINETICS CYP11B1, CYP11B2, CYP7A1 ATM 4747/4885PTPN1 3084/4885BCL2 4347/4885
US-20050171158-A1 Melanocortin receptor ligands MC1R, MC4R, MC5R ATM 4885/4885PTPN1 1050/4885BCL2 3354/4885
US-20040033995-A1 Compounds and inhibitors of phospholipases PLA2G4C, PLA2G4B, PLA2G4A ATM 4175/4885PTPN1 1814/4885BCL2 2789/4885
US-20090131420-A1 Novel Heterocyclic Analogs of Biphenyl Ethers UGT2B7, CYP4B1, CYP1B1 ATM 4876/4885PTPN1 1286/4885BCL2 2148/4885
US-20030236230-A1 Melanocortin receptor ligands MC1R, MC4R, MC5R ATM 4885/4885PTPN1 901/4885BCL2 3318/4885

“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.