SCHEMBL1193585

SCHEMBL1193585

CC(CCCCCC(=N)N)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.59
ACE2 Q9BYF1 1/20 0.47
GABRR1 P24046 2/20 0.47
SPHK2 Q9NRA0 1/20 0.47
SPHK1 Q9NYA1 1/20 0.47
CYP1A2 P05177 1/20 0.47
BLM P54132 1/20 0.46
TBXAS1 P24557 2/20 0.41
FFAR4 Q5NUL3 1/20 0.39
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39
FFAR1 O14842 1/20 0.39
FAAH O00519 1/20 0.38
ALDH1A1 P00352 1/20 0.38
F2 P00734 1/20 0.37

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
SCHEMBL5035344 0.86 LTA4H (0.66) LTA4HACE2GABRR1CYP1A2BLM
SCHEMBL1679786 0.84 LTA4H (0.68) LTA4HACE2GABRR1CYP1A2BLM
SCHEMBL20612872 0.81 ACE2 (0.64) LTA4HACE2GABRR1CYP1A2BLM
SCHEMBL9001608 0.81 ACE2 (0.64) LTA4HACE2GABRR1CYP1A2BLM
SCHEMBL5977939 0.81 ACE2 (0.64) LTA4HACE2GABRR1CYP1A2BLM
SCHEMBL31073666 0.81 ACE2 (0.64) LTA4HACE2GABRR1CYP1A2BLM
SCHEMBL9033013 0.80 LTA4H (0.58) LTA4HACE2GABRR1CYP1A2BLM
SCHEMBL3811423 0.79 CYP1A2 (0.67) LTA4HACE2CYP1A2BLMFFAR4
SCHEMBL2835395 0.79 CYP1A2 (0.67) LTA4HACE2CYP1A2BLMFFAR4
SCHEMBL22190484 0.79 LTA4H (0.62) LTA4HACE2GABRR1CYP1A2BLM

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 114 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8889370-B2 Method of determining inhibitors of coagulation SIEMENS HEALTHCARE DIAGNOSTICS PRODUCTS GMBH (DE) 2014-11-18 US disclosed
US-20120171697-A1 Method of Determining Inhibitors of Coagulation SIEMENS HEALTHCARE DIAGNOSTICS PRODUCTS GMBH (DE) 2012-07-05 US disclosed
US-7884080-B2 Administering an azetidinone compound for treating a disorder of lipid metabolism, pain, diabetes, a vascular condition, demyelination or nonalcoholic fatty liver disease; T-type calcium channel blocking agent, an antagonist of TRPV1, an agonist of TRPV1, of GPR119, antagonist of NPCL1 SCHERING PLOUGH CORPORATION (US) 2011-02-08 US disclosed
EP-2091534-A1 AZETIDINONE DERIVATIVES AND METHODS OF USE THEREOF SCHERING CORPORATION (US) 2009-08-26 EP disclosed
US-20090186834-A1 DIPHENYLHETEROCYCLE CHOLESTEROL ABSORPTION INHIBITORS MICROBIA, INC. (US) 2009-07-23 US disclosed
EP-2066668-A1 SPIROCYCLIC AZETIDINONE DERIVATIVES FOR THE TREATMENT OF DISORDERS OF LIPID METABOLISM, PAIN, DIABETES AND OTHER DISORDERS SCHERING CORPORATION (US) 2009-06-10 EP disclosed
EP-2061792-A2 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF DISORDERS OF THE LIPID METABOLISM SCHERING CORPORATION (US) 2009-05-27 EP disclosed
US-20090005321-A1 Phenylazetidinone Derivatives MICROBIA, INC. (US) 2009-01-01 US disclosed
US-20080194494-A1 4-Biarylyl-1-Phenylazetidin-2-One Glucuronide Derivatives for Hypercholesterolemia MICROBIA, INC. (US) 2008-08-14 US disclosed
WO-2008039829-A2 DIPHENYLHETEROCYCLE CHOLESTEROL ABSORPTION INHIBITORS IRONWOOD PHARMACEUTICALS, INC. (US) 2008-04-03 WO disclosed
WO-1998016523-A9 SELECTIVE FACTOR XA INHIBITORS 1998-08-27 WO disclosed
EP-0846125-A2 INHIBITORS OF FACTOR Xa COR THERAPEUTICS, INC. (US) 1998-06-10 EP disclosed
WO-1998016524-A1 HETEROCYCLIC DERIVATIVES AS FACTOR Xa INHIBITORS COR THERAPEUTICS, INC. (US) 1998-04-23 WO disclosed
WO-1998016525-A1 SELECTIVE FACTOR Xa INHIBITORS COR THERAPEUTICS, INC. (US) 1998-04-23 WO disclosed
WO-1998016547-A1 SELECTIVE FACTOR Xa INHIBITORS COR THERAPEUTICS, INC. (US) 1998-04-23 WO disclosed
WO-1998016523-A2 SELECTIVE FACTOR XA INHIBITORS COR THERAPEUTICS, INC. (US) 1998-04-23 WO disclosed
EP-0832102-A1 KETOHETEROCYCLIC INHIBITORS OF FACTOR Xa COR THERAPEUTICS, INC. (US) 1998-04-01 EP disclosed
US-5721214-A PEPTIDE ANTICOAGULANTS COR THERAPEUTICS, INC. (US) 1998-02-24 US disclosed
WO-1996040743-A2 INHIBITORS OF FACTOR Xa COR THERAPEUTICS, INC. (US) 1996-12-19 WO disclosed
WO-1996040744-A1 KETOHETEROCYCLIC INHIBITORS OF FACTOR Xa COR THERAPEUTICS, INC. (US) 1996-12-19 WO 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-20080194494-A1 4-Biarylyl-1-Phenylazetidin-2-One Glucuronide Derivatives for Hypercholesterolemia CYP46A1, CYP7A1, UGT1A1 LTA4H 3009/4885ACE2 797/4885GABRR1 2539/4885
US-20090186834-A1 DIPHENYLHETEROCYCLE CHOLESTEROL ABSORPTION INHIBITORS NPC1L1, CYP46A1, NPC1 LTA4H 1467/4885ACE2 329/4885GABRR1 2608/4885
US-20090005321-A1 Phenylazetidinone Derivatives TYR, AAAS, FANCD2 LTA4H 3270/4885ACE2 352/4885GABRR1 2782/4885

“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.