SCHEMBL6743502

SCHEMBL6743502

CSCCC(COc1c(F)c(F)nc(Oc2cc(C#N)ccc2OCc2ccccc2)c1F)NC(C)=O

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
MRGPRX4 Q96LA9 4/20 0.35
ACACB O00763 8/20 0.34
PTGER1 P34995 1/20 0.34
FNTA P49354 2/20 0.33
FNTB P49356 2/20 0.33
PPIA P62937 1/20 0.33
FPR1 P21462 1/20 0.33
PGGT1B P53609 1/20 0.33
SLC6A9 P48067 1/20 0.33
CYP19A1 P11511 1/20 0.33

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
SCHEMBL6744057 0.83 F2 (0.40) PDCD1CD274ACACBPTGER1FNTA
SCHEMBL6596215 0.81 MRGPRX4 (0.37) PDCD1CD274MRGPRX4PTGER1FNTA
SCHEMBL6738071 0.80 MRGPRX4 (0.36) PDCD1CD274MRGPRX4ACACBPTGER1
SCHEMBL6593252 0.76 MRGPRX4 (0.36) PDCD1CD274MRGPRX4PTGER1FNTA
SCHEMBL7407522 0.75 MRGPRX4 (0.41) MRGPRX4PTGER1PPIASLC6A9CYP19A1
SCHEMBL6581757 0.75 MRGPRX4 (0.46) MRGPRX4PTGER1
SCHEMBL6591621 0.75 MRGPRX4 (0.39) PDCD1CD274MRGPRX4PTGER1PPIA
SCHEMBL7482624 0.74 PTGER1 (0.38) MRGPRX4PTGER1PPIASLC6A9CYP19A1
SCHEMBL6589872 0.74 MRGPRX4 (0.38) MRGPRX4PTGER1PPIASLC6A9CYP19A1
SCHEMBL6163649 0.74 MRGPRX4 (0.42) MRGPRX4PTGER1PPIASLC6A9CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6686367-B2 Polyhydroxylated monocyclic N-heterocyclic derivatives as anti-coagulants BERLEX LABORATORIES, INC. 2004-02-03 US disclosed
US-20030149040-A1 Polyhydroxylated monocyclic N-heterocyclic derivatives as anti-coagulants BERLEX LABORATORIES, INC. 2003-08-07 US disclosed
US-6552030-B2 Inhibit human factor Xa; treating thrombotic activity; 3-((3,5-difluoro-6-(3-(1-methylimidazolin-2-yl)phenoxy)-4-((2-(1,2 -dihydoxyethyl)-4-hydroxy-5-ethoxytetrahydrofuran-3-yl)oxy)-pyridin-2 -yl)oxy)4-hydroxybenzamidine BERLEX LABORATORIES, INC. 2003-04-22 US disclosed
US-6495684-B2 INHIBIT HUMAN FACTOR XA; TREATING DISEASES CHARACTERIZED BY THROMBOTIC ACTIVITY; FOR EXAMPLE 3-((3,5-DIFLUORO-6-(3-(1-METHYLIMIDAZOLIN-2-YL)PHENOXY)-4-(2,3 -DIHYDROXYPROPOXY)PYRIDIN-2-YL)OXY)-4-HYDROXYBENZAMIDINE BERLEX LABORATORIES, INC. 2002-12-17 US disclosed
US-6495574-B2 THROMBOSIS DISEASES BERLEX LABORATORIES, INC. 2002-12-17 US disclosed
US-6492376-B2 3-((3,5-DIFLUORO-6-(3-(1-METHYLIMIDAZOLIN-2-YL)PHENOXY)-4 -(2,3 -DIHYDROXYPROPOXY)PYRIDIN-2-YL)OXY)-4-HYDROXYBENZAMIDINE, FOR EXAMPLE BERLEX LABORATORIES, INC. 2002-12-10 US disclosed
US-20010044536-A1 Polyhydroxylated monocyclic N-heterocyclic derivatives as anti-coagulants PHILLIPS GARY B (US) 2001-11-22 US disclosed
US-20010044537-A1 Polyhydroxylated monocyclic N-heterocyclic derivatives as anti-coagulants BERLEX LABORATORIES, INC. 2001-11-22 US disclosed
US-20010025108-A1 Polyhydroxylated monocyclic N-heterocyclic derivatives as anti-coagulants BERLEX LABORATORIES, INC. 2001-09-27 US disclosed
US-20010023291-A1 Polyhydroxylated monocyclic N-heterocyclic derivatives as anti-coagulants BERLEX LABORATORIES, INC. 2001-09-20 US disclosed
US-20010023292-A1 Polyhydroxylated monocyclic N-heterocyclic derivatives as anti-coagulants BERLEX LABORATORIES, INC. 2001-09-20 US disclosed
EP-1131315-A1 POLYHYDROXYLATED HETEROCYCLIC DERIVATIVES AS ANTI-COAGULANTS BERLEX LABORATORIES, INC. (US) 2001-09-12 EP disclosed
US-6262088-B1 Polyhydroxylated monocyclic N-heterocyclic derivatives as anti-coagulants BERLEX LABORATORIES, INC. 2001-07-17 US disclosed
WO-2000031068-A1 POLYHYDROXYLATED HETEROCYCLIC DERIVATIVES AS ANTI-COAGULANTS BERLEX LABORATORIES, INC. (DE) 2000-06-02 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 (6 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-20010023291-A1 Polyhydroxylated monocyclic N-heterocyclic derivatives as anti-coagulants F2, F8, SERPINC1 PDCD1 3343/4885CD274 3393/4885MRGPRX4 2762/4885
US-20010044536-A1 Polyhydroxylated monocyclic N-heterocyclic derivatives as anti-coagulants F2, SERPINC1, F11 PDCD1 3466/4885CD274 3651/4885MRGPRX4 2982/4885
US-20010044537-A1 Polyhydroxylated monocyclic N-heterocyclic derivatives as anti-coagulants F2, SERPINC1, F11 PDCD1 3466/4885CD274 3651/4885MRGPRX4 2982/4885
US-20030149040-A1 Polyhydroxylated monocyclic N-heterocyclic derivatives as anti-coagulants F2, SERPINC1, F8 PDCD1 3377/4885CD274 3393/4885MRGPRX4 2887/4885
US-20010025108-A1 Polyhydroxylated monocyclic N-heterocyclic derivatives as anti-coagulants F2, SERPINC1, F8 PDCD1 3368/4885CD274 3158/4885MRGPRX4 3168/4885
US-20010023292-A1 Polyhydroxylated monocyclic N-heterocyclic derivatives as anti-coagulants F2, SERPINC1, F8 PDCD1 3418/4885CD274 3454/4885MRGPRX4 2889/4885

“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.