Sugi Predict

Sugi Predict / Compounds / SCHEMBL6744057

SCHEMBL6744057

SCHEMBL6744057

CSCCC(COc1c(F)c(Oc2cccc(C3=NCCN3C)c2)nc(Oc2cc(C#N)ccc2OCc2ccccc2)c1F)NC(C)=O

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 7/20 0.40
▸ F10 P00742 7/20 0.40
▸ PDCD1 Q15116 2/20 0.34
▸ CD274 Q9NZQ7 2/20 0.34
▸ PTGER1 P34995 2/20 0.33
▸ PLG P00747 2/20 0.32
▸ PLAU P00749 2/20 0.32
▸ PLAT P00750 2/20 0.32
▸ ACACB O00763 2/20 0.32
▸ FNTA P49354 1/20 0.31
▸ FNTB P49356 1/20 0.31
▸ PGGT1B P53609 1/20 0.31
▸ SLC6A9 P48067 1/20 0.31
▸ ICMT O60725 1/20 0.31
▸ GPR34 Q9UPC5 1/20 0.31

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
SCHEMBL6593272 0.86 F2 (0.42) F2F10PDCD1CD274PTGER1
SCHEMBL6741887 0.85 F10 (0.41) F2F10PDCD1CD274PTGER1
SCHEMBL6743502 0.83 PDCD1 (0.36) PDCD1CD274PTGER1ACACBFNTA
SCHEMBL6590727 0.83 F10 (0.46) F2F10PDCD1CD274PTGER1
SCHEMBL7413407 0.82 F2 (0.47) F2F10PTGER1PLGPLAU
SCHEMBL6593254 0.81 F10 (0.44) F2F10PDCD1CD274PTGER1
SCHEMBL6578675 0.81 F2 (0.47) F2F10PTGER1PLAUICMT
SCHEMBL6593401 0.80 F2 (0.44) F2F10PTGER1PLGPLAU
SCHEMBL8060516 0.80 F2 (0.47) F2F10PTGER1PLGPLAU
SCHEMBL6591144 0.79 F10 (0.44) F2F10PTGER1PLGPLAU

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 15 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-6559147-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. 2003-05-06 — — 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 F2 1/4885F10 8/4885PDCD1 3343/4885
US-20010044536-A1 Polyhydroxylated monocyclic N-heterocyclic derivatives as anti-coagulants F2, SERPINC1, F11 F2 1/4885F10 9/4885PDCD1 3466/4885
US-20010044537-A1 Polyhydroxylated monocyclic N-heterocyclic derivatives as anti-coagulants F2, SERPINC1, F11 F2 1/4885F10 9/4885PDCD1 3466/4885
US-20030149040-A1 Polyhydroxylated monocyclic N-heterocyclic derivatives as anti-coagulants F2, SERPINC1, F8 F2 1/4885F10 9/4885PDCD1 3377/4885
US-20010025108-A1 Polyhydroxylated monocyclic N-heterocyclic derivatives as anti-coagulants F2, SERPINC1, F8 F2 1/4885F10 7/4885PDCD1 3368/4885
US-20010023292-A1 Polyhydroxylated monocyclic N-heterocyclic derivatives as anti-coagulants F2, SERPINC1, F8 F2 1/4885F10 8/4885PDCD1 3418/4885

“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.