SCHEMBL1010019

SCHEMBL1010019

O=C1CCC(=O)N1C(O)(Br)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA9 Q16790 1/20 0.35
ALDH1A1 P00352 1/20 0.31
PKM P14618 1/20 0.31
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
MAPK1 P28482 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
SCHEMBL29876297 0.79 CA12 (0.36) CA12CA1CA9ALDH1A1PKM
SCHEMBL230240 0.76 CA12 (0.33) CA12CA1CA9
SCHEMBL16875688 0.76 CA12 (0.33) CA12CA1CA9
SCHEMBL3132415 0.76 CA12 (0.34) CA12CA1CA9ALDH1A1PKM
SCHEMBL721353 0.73 CA12 (0.31) CA12CA1CA9
SCHEMBL6675625 0.72 CA12 (0.32) CA12CA1CA9ALDH1A1PKM
SCHEMBL5156474 0.71 CA12 (0.32) CA12CA1CA9ALDH1A1PKM
SCHEMBL5156471 0.71 ALDH1A1 (0.34) CA12CA1CA9ALDH1A1PKM
SCHEMBL913291 0.70 POLB (0.34) CA12CA1CA9ALDH1A1
SCHEMBL9499912 0.69 CA12 (0.30) CA12CA1CA9

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
EP-3313447-A2 COMPOSITIONS FOR DELIVERY TO AND TREATMENT OF ATHEROSCLEROTIC PLAQUES Sanford Burnham Prebys Medical Discovery Institute (US) 2018-05-02 EP disclosed
WO-2017040976-A1 COMPOUNDS AND COMPOSITIONS FOR TARGETING BRAIN INJURIES AND METHODS OF USE THEREOF RUOSLAHTI ERKKI (US) 2017-03-09 WO disclosed
WO-2016210423-A9 COMPOSITIONS FOR DELIVERY TO AND TREATMENT OF ATHEROSCLEROTIC PLAQUES Sanford Burnham Prebys Medical Discovery Institute (US) 2017-02-02 WO disclosed
WO-2016210423-A2 COMPOSITIONS FOR DELIVERY TO AND TREATMENT OF ATHEROSCLEROTIC PLAQUES Sanford Burnham Prebys Medical Discovery Institute (US) 2016-12-29 WO disclosed
WO-2016172515-A1 TARGETED DELIVERY SYSTEM AND METHODS OF USE THEREFOR Sanford Burnham Prebys Medical Discovery Institute (US) 2016-10-27 WO disclosed
WO-2014201118-A2 COMPOSITIONS AND METHODS FOR TARGETED ENDOMETRIOSIS TREATMENT SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2014-12-18 WO disclosed
WO-2013019745-A1 METHODS AND COMPOSITIONS FOR GENETICALLY MODIFIYING CELLS Georgia Health Sciences University (US) 2013-02-07 WO disclosed
WO-2011143111-A1 ENDOTHELIAL NITRIC OXIDE SYNTHASE ANTAGONISTS AND USES THEREOF FOR INHIBITING OXYGEN TOXICITY MEDICAL COLLEGE OF GEORGIA RESEARCH INSTITUTE, INC. (US) 2011-11-17 WO disclosed
WO-2011022103-A2 GANGLIOSIDE EPITOPES FOR TREATING GUILLAIN-BARRE SYNDROME MEDICAL COLLEGE OF GEORGIA RESEARCH INSTITUTE, INC. (US) 2011-02-24 WO disclosed
WO-2011006069-A1 PEPTIDES FOR BINDING FIBRINOGEN AND FIBRIN GEORGIA TECH RESEARCH CORPORATION (US) 2011-01-13 WO disclosed
EP-2268664-A2 DOC1 COMPOSITIONS AND METHODS FOR TREATING CANCER The Government of the United States of America as represented by the Secretary of the Department of Health and Human Services (US) 2011-01-05 EP disclosed
WO-2010070380-A2 DOC1 COMPOSITIONS AND METHODS FOR TREATING CANCER THE GOVERNMENT OF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH OF HUMAN SERVICES, NATIONAL INSTITUTES OF HEALTH (US) 2010-06-24 WO disclosed
EP-1966234-A2 ENDOMETRIOSIS CELL TARGETING PEPTIDES AND USES THEREOF The Burnham Institute for Medical Research (US) 2008-09-10 EP disclosed
WO-2007076501-A2 ENDOMETRIOSIS CELL TARGETING PEPTIDE AND USES THEREOF THE BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2007-07-05 WO disclosed
WO-1995018971-A1 METHODS FOR THE SOLID PHASE SYNTHESIS OF GLYCOCONJUGATES AFFYMAX TECHNOLOGIES N.V. (NL) 1995-07-13 WO disclosed