SCHEMBL3379707

SCHEMBL3379707

CC[C](C)C1COCCN1

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CTSC P53634 1/20 0.30

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
SCHEMBL17265953 0.78 CTSC (0.34) CTSC
SCHEMBL295040 0.78 CTSC (0.34) CTSC
SCHEMBL294800 0.75
SCHEMBL22053991 0.75
SCHEMBL12326839 0.75
SCHEMBL24682132 0.74
SCHEMBL24682121 0.73
Alcohol SCHEMBL28206180 0.73 CTSC (0.34) CTSC
SCHEMBL4684131 0.72 PRCP (0.42) CTSC
SCHEMBL18664467 0.72 PRCP (0.42) CTSC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8470844-B2 Imidazoacridinone derivative compounds and methods for their use TECHNION RESEARCH & DEVELOPMENT FOUNDATION LIMITED (IL) 2013-06-25 US disclosed
US-20100137351-A1 Imidazoacridinone derivative compounds and methods for their use TECHNION RESEARCH & DEVELOPMENT FOUNDATION LTD. (IL) 2010-06-03 US disclosed
US-20080274998-A1 Disaccharide Molecules and Derivatives Thereof and Methods of Using Same YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2008-11-06 US disclosed
WO-2008021745-A2 HEPATITIS C VIRUS ENTRY INHIBITORS ITHERX PHARMACEUTICALS, INC. (US) 2008-02-21 WO disclosed
WO-2006002022-A2 COMPOSITIONS AND METHODS USEFUL FOR THE TREATMENT OF HYPERGLYCEMIA IMMUSOL INCORPORATED (US) 2006-01-05 WO disclosed
WO-2005076743-A2 DISACCHARIDE MOLECULES AND DERIVATIVES THEREOF AND METHODS OF USING SAME YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2005-08-25 WO disclosed
US-20040102629-A1 Thioquinazolinone derivatives and combinatorial libraries thereof LION BIOSCIENCE, AG. (DE) 2004-05-27 US disclosed
US-6677452-B1 PREPARED BY REACTING AMINE WITH PYRIDINE SUBSTITUTED WITH HALOGEN AT POSITION 6 AND WITH CARBOXY OR SULFONYL GROUP AT ANOTHER POSITION TO FORM AMIDE OR SULFONAMIDE, DISPLACING HALOGEN WITH DESIRED DIAMINE LION BIOSCIENCE AG (DE) 2004-01-13 US disclosed
US-20030232994-A1 Bicyclic thiophene derivatives and combinatorial libraries thereof LION BIOSCIENCE AG (DE) 2003-12-18 US disclosed
US-6660858-B2 Made by reacting a benzoxazole with a leaving group at the 2 position and a diamine of given formula LION BIOSCIENCE AG (DE) 2003-12-09 US disclosed
US-6515122-B1 The invention further relates to combinatorial libraries containing two or more such compounds, as well as methods of preparing tetracyclic benzimidazole derivative compounds. LION BIOSCIENCE AG (DE) 2003-02-04 US disclosed
US-20020161028-A1 2-aminobenzoxazole derivatives and combinatorial libraries thereof LION BIOSCIENCE, AG (DE) 2002-10-31 US disclosed
US-6458789-B1 ANTICOAGULENTS, ANTIHISTAMINES, ANTISEPTICS, ANTIARRHYTHMICS AND ANTIRHEUMATICS LION BIOSCIENCE AG (DE) 2002-10-01 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 (5 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-20080274998-A1 Disaccharide Molecules and Derivatives Thereof and Methods of Using Same MSN, MAN2B2, MASP2 CTSC 934/4885
US-20100137351-A1 Imidazoacridinone derivative compounds and methods for their use IDH3A, IDH3B, ABL1 CTSC 2561/4885
US-20020161028-A1 2-aminobenzoxazole derivatives and combinatorial libraries thereof BCAT2, IL4I1, BCAT1 CTSC 3071/4885
US-20030232994-A1 Bicyclic thiophene derivatives and combinatorial libraries thereof CXCR2, BICRA, CXCR1 CTSC 2297/4885
US-20040102629-A1 Thioquinazolinone derivatives and combinatorial libraries thereof TTI1, RPS4Y1, TSNAX CTSC 3097/4885

“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.