SCHEMBL3177544

SCHEMBL3177544

O=C(CC(c1ccccc1)c1c(O)c2ccccc2oc1=O)OCCC(F)(F)F

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 9/20 0.61
VKORC1 Q9BQB6 3/20 0.61
ALDH1A1 P00352 3/20 0.61
HSD17B10 Q99714 2/20 0.61
ALB P02768 2/20 0.61
KDM4E B2RXH2 2/20 0.61
PCSK7 Q16549 1/20 0.61
MEN1 O00255 1/20 0.61
KMT2A Q03164 1/20 0.61
CYP3A4 P08684 1/20 0.60
NQO1 P15559 1/20 0.53
LMNA P02545 1/20 0.51
GAA P10253 1/20 0.51
HPGD P15428 1/20 0.51
HTT P42858 1/20 0.51
NR1I2 O75469 1/20 0.50
NR3C1 P04150 1/20 0.50
ADRA1A P35348 1/20 0.50
KCNH2 Q12809 1/20 0.50
ADORA3 P0DMS8 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
SCHEMBL3263995 0.87 CYP2C9 (0.67) CYP2C9VKORC1ALDH1A1HSD17B10ALB
SCHEMBL5113240 0.86 CYP2C9 (0.69) CYP2C9VKORC1ALDH1A1HSD17B10ALB
SCHEMBL3166741 0.85 CYP2C9 (0.61) CYP2C9VKORC1ALDH1A1HSD17B10ALB
SCHEMBL5103750 0.84 CYP2C9 (0.66) CYP2C9VKORC1ALDH1A1HSD17B10ALB
SCHEMBL1647638 0.83 CYP2C9 (0.72) CYP2C9VKORC1ALDH1A1HSD17B10ALB
SCHEMBL3173499 0.82 CYP2C9 (0.58) CYP2C9VKORC1ALDH1A1HSD17B10ALB
SCHEMBL3265388 0.82 CYP2C9 (0.64) CYP2C9VKORC1ALDH1A1HSD17B10ALB
SCHEMBL3178363 0.82 CYP2C9 (0.63) CYP2C9VKORC1ALDH1A1HSD17B10ALB
SCHEMBL5972176 0.81 CYP2C9 (0.69) CYP2C9VKORC1ALDH1A1HSD17B10ALB
SCHEMBL3163660 0.81 CYP2C9 (0.59) CYP2C9VKORC1ALDH1A1HSD17B10ALB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090082430-A1 Materials and Methods for Treating Coagulation Disorders ARYX THERAPEUTICS, INC. (US) 2009-03-26 US claimed
EP-2161261-B1 Materials and methods for treating coagulation disorders ARMETHEON INC (US) 2013-08-28 EP 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20090082430-A1 Materials and Methods for Treating Coagulation Disorders F12, F2, SERPINC1 CYP2C9 553/4885VKORC1 38/4885ALDH1A1 992/4885

“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.