SCHEMBL8097911

SCHEMBL8097911

Cc1cc(OCC[n+]2ccc(N)cc2)cc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 15/20 0.52
▸ MAOA P21397 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.39
▸ HSP90AA1 P07900 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ ALPL P05186 1/20 0.37
▸ ALPI P09923 1/20 0.37

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
SCHEMBL8102979 0.89 F2 (0.48) F2
SCHEMBL12920116 0.86 F2 (0.46) F2ALPLALPI
SCHEMBL8142134 0.86 F2 (0.46) F2ALPLALPI
SCHEMBL8094928 0.86 F2 (0.48) F2
SCHEMBL8098561 0.86 F2 (0.48) F2
Iodide SCHEMBL974828 0.85 F2 (0.47) F2
SCHEMBL12920107 0.84 F2 (0.44) F2
SCHEMBL8094930 0.84 F2 (0.44) F2
SCHEMBL8102860 0.84 F2 (0.45) F2
SCHEMBL8094925 0.83 F2 (0.46) F2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8426433-B2 Anticoagulant compounds, pharmaceutical compositions on their basis to treat thrombotic conditions, and plasma-substituting solution to correct hypercoagulation defects of hemodilution Obschestvo S Ogranichennoi Otvetsttvennoctiyu “Bionika” (RU) 2013-04-23 — — US disclosed
US-20110003826-A1 ANTICOAGULANT COMPOUNDS, PHARMACEUTICAL COMPOSITIONS ON THEIR BASIS TO TREAT THROMBOTIC CONDITIONS, AND PLASMA-SUBSTITUTING SOLUTION TO CORRECT HYPERCOAGULATION DEFECTS OF HEMODILUTION Obschestvo S Organichennoi Otvetsttvennoctiyu "Bio (RU) 2011-01-06 — — US disclosed
US-20100324058-A1 THROMBIN FUNCTION COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS BASED ON THEM OBSCHESTVO S ORGANICHENNOI OTVETSTTVENNOCTIYOU "BIONIKA" (RU) 2010-12-23 — — US disclosed
WO-2009002228-A2 NEW THROMBIN FUNCTION COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS BASED ON THEM OBSCHESTVO S OGRANICHENNOI OTVETSTTVENNOCTIYU 'BIONIKA' (RU) 2008-12-31 — — WO disclosed
WO-2009002229-A2 NEW ANTICOAGULANT COMPOUNDS, PHARMACEUTICAL COMPOSITIONS ON THEIR BASIS TO TREAT THROMBOTIC CONDITIONS, AND PLASMA-SUBSTITUTING SOLUTION TO CORRECT HYPERCOAGULATION DEFECTS OF HEMODILUTION OBSCHESTVO S OGRANICHENNOI OTVETSTTVENNOCTIYU 'BIONIKA' (RU) 2008-12-31 — — 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 (2 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-20100324058-A1 THROMBIN FUNCTION COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS BASED ON THEM F2, PLAT, SERPINC1 F2 1/4885MAOA 1843/4885ALDH1A1 4317/4885
US-20110003826-A1 ANTICOAGULANT COMPOUNDS, PHARMACEUTICAL COMPOSITIONS ON THEIR BASIS TO TREAT THROMBOTIC CONDITIONS, AND PLASMA-SUBSTITUTING SOLUTION TO CORRECT HYPERCOAGULATION DEFECTS OF HEMODILUTION F2, PROC, PLG F2 1/4885MAOA 1778/4885ALDH1A1 3871/4885

“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.

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