SCHEMBL2183590

SCHEMBL2183590

COCCOCC(C)(C)C(=O)OC

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 2/20 0.35
PRSS1 P07477 1/20 0.33
CTSG P08311 1/20 0.33
CTRB1 P17538 1/20 0.33
CMA1 P23946 1/20 0.33
CNR2 P34972 1/20 0.32
TSHR P16473 2/20 0.31
THRB P10828 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL16869153 0.98 DGAT1 (0.34) DGAT1PRSS1CTSGCTRB1CMA1
SCHEMBL16869115 0.86 ALDH1A1 (0.44) DGAT1TSHRALDH1A1
SCHEMBL13391772 0.85 ALDH1A1 (0.43) DGAT1TSHRTHRBALDH1A1
SCHEMBL17574066 0.84 DGAT1 (0.42) DGAT1PRSS1CTSGCTRB1CMA1
SCHEMBL10682128 0.83 DGAT1 (0.35) DGAT1TSHRTHRBALDH1A1
SCHEMBL355529 0.83 TSHR (0.38) DGAT1TSHRTHRBALDH1A1
SCHEMBL16163882 0.82 DGAT1 (0.41) DGAT1
SCHEMBL1012154 0.81 DGAT1 (0.41) DGAT1PRSS1CTSGCTRB1CMA1
SCHEMBL356764 0.81 DGAT1 (0.34) DGAT1
SCHEMBL27265814 0.81 DGAT1 (0.34) DGAT1

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105705508-B Acyclonucleosides phosphoric acid ester derivant and preparation method thereof and application medically 四川海思科制药有限公司 2017-09-01 CN disclosed
CN-105705508-A Acyclic nucleoside phosphonate derivative and preparation method and use thereof in medical science 四川海思科制药有限公司 2016-06-22 CN disclosed
US-20160046576-A1 NOVEL PYRROLE DERIVATIVES UNIV LEICESTER (GB) 2016-02-18 US disclosed
US-20160046576-A1 NOVEL PYRROLE DERIVATIVES UNIV LEICESTER (GB) 2016-02-18 US disclosed
US-9221756-B2 Pyrrole derivatives UNIVERSITY OF LEICESTER (GB) 2015-12-29 US disclosed
US-9221756-B2 Pyrrole derivatives UNIVERSITY OF LEICESTER (GB) 2015-12-29 US disclosed
WO-2015096697-A1 ACYCLIC NUCLEOSIDE PHOSPHONATE DERIVATIVE AND PREPARATION METHOD AND USE THEREOF IN MEDICAL SCIENCE 四川海思科制药有限公司 2015-07-02 WO disclosed
US-20140309193-A1 NOVEL PYRROLE DERIVATIVES UNIVERSITY OF LEICESTER (GB) 2014-10-16 US disclosed
US-20140309193-A1 NOVEL PYRROLE DERIVATIVES UNIVERSITY OF LEICESTER (GB) 2014-10-16 US disclosed
EP-2788324-A2 NOVEL PYRROLE DERIVATIVES University Of Leicester (GB) 2014-10-15 EP disclosed
WO-2013083975-A2 NOVEL PYRROLE DERIVATIVES UNIVERSITY OF LEICESTER (GB) 2013-06-13 WO disclosed
US-8372874-B2 Compounds which selectively modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-02-12 US disclosed
US-8372874-B2 Compounds which selectively modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-02-12 US disclosed
US-8372874-B2 Compounds which selectively modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-02-12 US disclosed
EP-2342199-A2 COMPOUNDS WHICH SELECTIVELY MODULATE THE CB2 RECEPTOR Boehringer Ingelheim International GmbH (DE) 2011-07-13 EP disclosed
WO-2010036631-A2 COMPOUNDS WHICH SELECTIVELY MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-01 WO disclosed
WO-2010036631-A2 COMPOUNDS WHICH SELECTIVELY MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-01 WO disclosed
US-20100076029-A1 Compounds Which Selectively Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-03-25 US disclosed
US-20100076029-A1 Compounds Which Selectively Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-03-25 US disclosed
US-20100076029-A1 Compounds Which Selectively Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-03-25 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 (3 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-20100076029-A1 Compounds Which Selectively Modulate The CB2 Receptor CNR2, CNR1, OPRL1 DGAT1 981/4885PRSS1 3268/4885CTSG 1533/4885
US-20160046576-A1 NOVEL PYRROLE DERIVATIVES PYCR1, ARG1, PNISR DGAT1 4704/4885PRSS1 560/4885CTSG 3669/4885
US-20140309193-A1 NOVEL PYRROLE DERIVATIVES PYCR1, ARG1, PNISR DGAT1 4704/4885PRSS1 560/4885CTSG 3669/4885

“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.