SCHEMBL1649099

SCHEMBL1649099

O=C(O)CC(c1ccc2c(c1)OCCO2)c1c(O)c2ccccc2oc1=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 5/20 0.57
HSD17B10 Q99714 2/20 0.57
ALB P02768 2/20 0.57
VKORC1 Q9BQB6 2/20 0.57
KDM4E B2RXH2 1/20 0.57
ALDH1A1 P00352 1/20 0.57
PCSK7 Q16549 1/20 0.57
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
CYP3A4 P08684 1/20 0.56
TOP2A P11388 1/20 0.54
NQO1 P15559 8/20 0.52
TOP1 P11387 1/20 0.52
NR1I2 O75469 1/20 0.51
NR3C1 P04150 1/20 0.51
ADRA1A P35348 1/20 0.51
KCNH2 Q12809 1/20 0.51
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50

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
SCHEMBL14078679 0.94 TOP2A (0.62) CYP2C9HSD17B10ALBVKORC1KDM4E
SCHEMBL1648307 0.87 ADORA3 (0.55) CYP2C9HSD17B10ALBVKORC1KDM4E
SCHEMBL14170275 0.85 NQO1 (0.69) CYP2C9KDM4EALDH1A1MEN1KMT2A
SCHEMBL1649909 0.82 CYP2C9 (0.80) CYP2C9HSD17B10ALBVKORC1KDM4E
SCHEMBL1649918 0.82 NQO1 (0.72) CYP2C9HSD17B10ALBVKORC1KDM4E
SCHEMBL3174704 0.81 CYP2C9 (0.60) CYP2C9HSD17B10ALBVKORC1KDM4E
SCHEMBL3177410 0.81 CYP2C9 (0.60) CYP2C9HSD17B10ALBVKORC1KDM4E
SCHEMBL3158084 0.81 CYP2C9 (0.60) CYP2C9HSD17B10ALBVKORC1KDM4E
SCHEMBL1649084 0.79 NQO1 (0.70) CYP2C9HSD17B10ALBVKORC1KDM4E
SCHEMBL14172048 0.78 TOP2A (0.77) CYP2C9KDM4EALDH1A1MEN1KMT2A

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 9 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
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
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-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
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 (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-20050245603-A1 Materials and methods for treating coagulation disorders F12, F2, SERPINC1 CYP2C9 553/4885HSD17B10 1602/4885ALB 1538/4885
US-20060287388-A1 Materials and Methods for Treating Coagulation Disorders F12, F2, SERPINC1 CYP2C9 553/4885HSD17B10 1602/4885ALB 1538/4885
US-20090082430-A1 Materials and Methods for Treating Coagulation Disorders F12, F2, SERPINC1 CYP2C9 553/4885HSD17B10 1602/4885ALB 1538/4885

“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.