SCHEMBL1648003

SCHEMBL1648003

CC(C)CC(CC(=O)O)c1c(O)c2ccccc2oc1=O

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 7/20 0.62
VKORC1 Q9BQB6 3/20 0.62
HSD17B10 Q99714 2/20 0.62
ALB P02768 2/20 0.62
KDM4E B2RXH2 1/20 0.62
ALDH1A1 P00352 1/20 0.62
PCSK7 Q16549 1/20 0.62
MEN1 O00255 1/20 0.62
KMT2A Q03164 1/20 0.62
NQO1 P15559 2/20 0.60
NFKB1 P19838 1/20 0.57
NFKB2 Q00653 1/20 0.57
RELA Q04206 1/20 0.57
CYP3A4 P08684 1/20 0.57

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
SCHEMBL3480693 0.89 CYP2C9 (0.59) CYP2C9VKORC1HSD17B10ALBKDM4E
SCHEMBL1647999 0.85 CYP2C9 (0.66) CYP2C9VKORC1HSD17B10ALBKDM4E
SCHEMBL1649113 0.85 NQO1 (0.76) CYP2C9VKORC1HSD17B10ALBKDM4E
SCHEMBL1649881 0.84 ADORA3 (0.65) CYP2C9VKORC1HSD17B10ALBKDM4E
SCHEMBL7351597 0.83 CYP2C9 (0.82) CYP2C9VKORC1HSD17B10ALBKDM4E
SCHEMBL1649909 0.81 CYP2C9 (0.80) CYP2C9VKORC1HSD17B10ALBKDM4E
SCHEMBL8945703 0.80 NQO1 (0.57) CYP2C9VKORC1HSD17B10ALBKDM4E
SCHEMBL28761758 0.78 VKORC1 (0.69) CYP2C9VKORC1HSD17B10ALBKDM4E
SCHEMBL8042698 0.78 CYP2C9 (0.86) CYP2C9VKORC1HSD17B10ALBKDM4E
SCHEMBL310481 0.77 VKORC1 (0.82) CYP2C9VKORC1NQO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2161261-B1 Materials and methods for treating coagulation disorders ARMETHEON INC (US) 2013-08-28 EP disclosed
CN-1950353-B Materials and methods for treating coagulation disorders ARYX THERAPEUTICS 2011-06-01 CN disclosed
US-7932405-B2 Halogenated ester derivatives of coumarins for the treatment of coagulation disorders ARYX THERAPEUTICS, INC. (US) 2011-04-26 US disclosed
EP-2161261-A1 Materials and methods for treating coagulation disorders Aryx Therapeutics (US) 2010-03-10 EP disclosed
US-7666902-B2 1,1,1,3,3,3-hexachloro-2-methylpropan-2-yl 4-((4-hydroxy-2-oxo-2H-chromen-3-yl)methyl)benzoate; side effect reduction over warfarin ARYX THERAPEUTICS, INC. (US) 2010-02-23 US disclosed
EP-1735296-B1 MATERIALS AND METHODS FOR TREATING COAGULATION DISORDERS ARYX THERAPEUTICS (US) 2009-12-09 EP disclosed
US-20090082430-A1 Materials and Methods for Treating Coagulation Disorders ARYX THERAPEUTICS, INC. (US) 2009-03-26 US disclosed
US-20080027132-A1 Materials and Methods For Treating Coagulation Disorders ARYX THERAPEUTICS (US) 2008-01-31 US disclosed
US-7285671-B2 Materials and methods for treating coagulation disorders ARYX THERAPEUTICS (US) 2007-10-23 US disclosed
US-7253208-B2 Materials and methods for treating coagulation disorders ARYX THERAPEUTICS (US) 2007-08-07 US disclosed
CN-1950353-A Materials and methods for treating coagulation disorders ARYX THERAPEUTICS (US) 2007-04-18 CN disclosed
US-20060287388-A1 Materials and Methods for Treating Coagulation Disorders ARYX THERAPEUTICS (US) 2006-12-21 US disclosed
US-20050245603-A1 Materials and methods for treating coagulation disorders ESPERO BIOPHARMA, INC. 2005-11-03 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 (4 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-20050245603-A1 Materials and methods for treating coagulation disorders F12, F2, SERPINC1 CYP2C9 553/4885VKORC1 38/4885HSD17B10 1602/4885
US-20060287388-A1 Materials and Methods for Treating Coagulation Disorders F12, F2, SERPINC1 CYP2C9 553/4885VKORC1 38/4885HSD17B10 1602/4885
US-20080027132-A1 Materials and Methods For Treating Coagulation Disorders F12, F2, SERPINC1 CYP2C9 553/4885VKORC1 38/4885HSD17B10 1602/4885
US-20090082430-A1 Materials and Methods for Treating Coagulation Disorders F12, F2, SERPINC1 CYP2C9 553/4885VKORC1 38/4885HSD17B10 1602/4885

“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.