SCHEMBL8898693

SCHEMBL8898693

CCCCCCCCCCC(=O)C(C)(C)C

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 8/20 0.64
CES1 P23141 8/20 0.64
CES2 O00748 5/20 0.64
MEN1 O00255 2/20 0.64
KMT2A Q03164 2/20 0.64
HSD17B10 Q99714 2/20 0.64
CYP1A2 P05177 1/20 0.64
PPARG P37231 5/20 0.54
PPARD Q03181 5/20 0.54
PPARA Q07869 5/20 0.54
HDAC11 Q96DB2 4/20 0.54
TSHR P16473 3/20 0.54
GPR84 Q9NQS5 3/20 0.54
ALDH1A1 P00352 2/20 0.54
TLR2 O60603 2/20 0.54
TDP1 Q9NUW8 2/20 0.54
FABP4 P15090 2/20 0.54
PTPN1 P18031 2/20 0.54
SLC22A6 Q4U2R8 1/20 0.54
SLC22A8 Q8TCC7 1/20 0.54

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
SCHEMBL14519725 1.00 FAAH (0.64) FAAHCES1CES2MEN1KMT2A
SCHEMBL3411867 1.00 FAAH (0.64) FAAHCES1CES2MEN1KMT2A
SCHEMBL9437438 1.00 FAAH (0.64) FAAHCES1CES2MEN1KMT2A
SCHEMBL13246772 1.00 FAAH (0.64) FAAHCES1CES2MEN1KMT2A
SCHEMBL8824699 1.00 FAAH (0.64) FAAHCES1CES2MEN1KMT2A
SCHEMBL23052919 1.00 FAAH (0.64) FAAHCES1CES2MEN1KMT2A
SCHEMBL16186191 1.00 FAAH (0.64) FAAHCES1CES2MEN1KMT2A
SCHEMBL16186192 1.00 FAAH (0.64) FAAHCES1CES2MEN1KMT2A
SCHEMBL22525240 1.00 FAAH (0.64) FAAHCES1CES2MEN1KMT2A
SCHEMBL16186190 1.00 FAAH (0.64) FAAHCES1CES2MEN1KMT2A

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-20150337013-A1 NOVEL ANTIBACTERIAL AGENTS FOR THE TREATMENT OF GRAM POSITIVE INFECTIONS MERCK SHARP & DOHME CORP. (US) 2015-11-26 US disclosed
US-20140073558-A1 NOVEL ANTIBACTERIAL AGENTS FOR THE TREATMENT OF GRAM POSITIVE INFECTIONS CUBIST PHARMACEUTICALS, INC. (US) 2014-03-13 US disclosed
US-8507647-B2 Antibacterial agents for the treatment of gram positive infections CUBIST PHARMACEUTICALS, INC. (US) 2013-08-13 US disclosed
US-20100184649-A1 NOVEL ANTIBACTERIAL AGENTS FOR THE TREATMENT OF GRAM POSITIVE INFECTIONS CUBIST PHARMACEUTICALS, INC. 2010-07-22 US disclosed
US-7666898-B2 Multivalent indole compounds and use thereof as phospholipase-A2 inhibitors ILYPSA, INC. (US) 2010-02-23 US disclosed
US-20090318492-A1 INDOLE COMPOUNDS HAVING C4-ACIDIC SUBSTITUENTS AND USE THEREOF AS PHOSPHOLIPASE-A2 INHIBITORS ILYPSA, INC. 2009-12-24 US disclosed
US-20090306171-A1 INDOLE COMPOUNDS HAVING C4-AMIDE SUBSTITUENTS AND USE THEREOF AS PHOSPHOLIPASE-A2 INHIBITORS ILYPSA, INC. 2009-12-10 US disclosed
US-20090239896-A1 AZAINDOLE COMPOUNDS AND USE THEREOF AS PHOSPHOLIPASE-A2 INHIBITORS ILYPSA, INC. 2009-09-24 US disclosed
US-20080051447-A1 Treatment Of Hypercholesterolemia, Hypertriglyceridemia And Cardiovascular-Related Conditions Using Phospholipase-A2 Inhibitors ILYPSA, INC. 2008-02-28 US disclosed
US-20080021049-A1 Treatment Of Diet-Related Conditions Using Phospholipase-A2 Inhibitors Comprising Indoles And Related Compounds ILYPSA, INC. 2008-01-24 US disclosed
US-20070292385-A1 Phospholipase Inhibitors Localized in the Gastrointestinal Lumen ILYPSA, INC. 2007-12-20 US disclosed
US-20070135385-A1 Methyl indoxam; obesity; dietectics; antidiabetic agents; insulin resistance; non-insulin dependent diabetes; glucose intolerance; hypercholesterolemia; hypertriglyceridemia; anticholesterol agents; metabolic disorders; foods;bioavailability; side effect reduction ILYPSA, INC. 2007-06-14 US disclosed
US-20070135383-A1 Phospholipase inhibitors, including multi-valent phospholipase inhibitors, and use thereof, including as lumen-localized phospholipase inhibitors ILYPSA, INC. 2007-06-14 US disclosed
EP-0531715-B1 Process for producing alcohols and ketones SUMITOMO CHEMICAL CO (JP) 1997-11-05 EP disclosed
US-5426237-A Oxidation of straight, branched or cyclic alkanes and benzene derivatives in presence of transition metal catalyst and aldehyde SUMITOMO CHEMICAL CO., LTD. (JP) 1995-06-20 US disclosed
EP-0531715-A1 Process for producing alcohols and ketones SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-03-17 EP 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 (11 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-20090318492-A1 INDOLE COMPOUNDS HAVING C4-ACIDIC SUBSTITUENTS AND USE THEREOF AS PHOSPHOLIPASE-A2 INHIBITORS PLA2G4A, PLA2G1B, PLA2G4B FAAH 230/4885CES1 106/4885CES2 432/4885
US-20070135385-A1 Methyl indoxam; obesity; dietectics; antidiabetic agents; insulin resistance; non-insulin dependent diabetes; glucose intolerance; hypercholesterolemia; hypertriglyceridemia; anticholesterol agents; metabolic disorders; foods;bioavailability; side effect reduction GPR119, INMT, PNLIP FAAH 2066/4885CES1 132/4885CES2 753/4885
US-20090239896-A1 AZAINDOLE COMPOUNDS AND USE THEREOF AS PHOSPHOLIPASE-A2 INHIBITORS PLA2G5, PLA2G4A, PLA2G3 FAAH 808/4885CES1 91/4885CES2 153/4885
US-20150337013-A1 NOVEL ANTIBACTERIAL AGENTS FOR THE TREATMENT OF GRAM POSITIVE INFECTIONS CLPP, CLPTM1, RPN1 FAAH 1153/4885CES1 2802/4885CES2 3242/4885
US-20100184649-A1 NOVEL ANTIBACTERIAL AGENTS FOR THE TREATMENT OF GRAM POSITIVE INFECTIONS CLPP, CLPTM1, RPN1 FAAH 1153/4885CES1 2802/4885CES2 3242/4885
US-20070135383-A1 Phospholipase inhibitors, including multi-valent phospholipase inhibitors, and use thereof, including as lumen-localized phospholipase inhibitors PNLIP, PLA2G2E, PLA2G3 FAAH 163/4885CES1 87/4885CES2 729/4885
US-20090306171-A1 INDOLE COMPOUNDS HAVING C4-AMIDE SUBSTITUENTS AND USE THEREOF AS PHOSPHOLIPASE-A2 INHIBITORS PLA2G1B, PLA2G2E, PLA2G4A FAAH 223/4885CES1 91/4885CES2 337/4885
US-20080021049-A1 Treatment Of Diet-Related Conditions Using Phospholipase-A2 Inhibitors Comprising Indoles And Related Compounds PLA2G12A, PLA2G4A, PLA2G2E FAAH 288/4885CES1 109/4885CES2 924/4885
US-20070292385-A1 Phospholipase Inhibitors Localized in the Gastrointestinal Lumen PNLIP, PLA2G2E, PLA2G4B FAAH 142/4885CES1 76/4885CES2 528/4885
US-20140073558-A1 NOVEL ANTIBACTERIAL AGENTS FOR THE TREATMENT OF GRAM POSITIVE INFECTIONS CLPP, CLPTM1, RPN1 FAAH 1153/4885CES1 2802/4885CES2 3242/4885
US-20080051447-A1 Treatment Of Hypercholesterolemia, Hypertriglyceridemia And Cardiovascular-Related Conditions Using Phospholipase-A2 Inhibitors PNLIP, PLA2G1B, PLA2G4A FAAH 237/4885CES1 58/4885CES2 418/4885

“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.