SCHEMBL5543839

SCHEMBL5543839

CCCCCCCCCCCCCCCCCCNC(=O)CBr

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CASP2 P42575 1/20 0.67
NAAA Q02083 1/20 0.62
EPHX1 P07099 8/20 0.61
FAAH O00519 4/20 0.60
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
ZDHHC20 Q5W0Z9 1/20 0.52
ZDHHC2 Q9UIJ5 1/20 0.52

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
SCHEMBL16582460 1.00 CASP2 (0.67) CASP2NAAAEPHX1FAAHMEN1
SCHEMBL14621023 1.00 CASP2 (0.67) CASP2NAAAEPHX1FAAHMEN1
SCHEMBL6281759 1.00 CASP2 (0.67) CASP2NAAAEPHX1FAAHMEN1
SCHEMBL23567378 1.00 CASP2 (0.67) CASP2NAAAEPHX1FAAHMEN1
SCHEMBL6120008 1.00 CASP2 (0.67) CASP2NAAAEPHX1FAAHMEN1
SCHEMBL23567381 1.00 CASP2 (0.67) CASP2NAAAEPHX1FAAHMEN1
SCHEMBL5327335 1.00 CASP2 (0.67) CASP2NAAAEPHX1FAAHMEN1
SCHEMBL5331194 1.00 CASP2 (0.67) CASP2NAAAEPHX1FAAHMEN1
SCHEMBL462832 0.98 CASP2 (0.63) CASP2NAAAEPHX1FAAHMEN1
SCHEMBL3310816 0.91

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021126990-A1 OXYTOCIN DERIVATIVES WITH IMPROVED PROPERTIES THE SCRIPPS RESEARCH INSTITUTE (US) 2021-06-24 WO disclosed
US-7994152-B2 Method of treating a cancer by administering A 2′,5′-oligoadenylate analog SANKYO COMPANY, LIMITED (JP) 2011-08-09 US disclosed
US-7994152-B2 Method of treating a cancer by administering A 2′,5′-oligoadenylate analog SANKYO COMPANY, LIMITED (JP) 2011-08-09 US disclosed
US-20100035976-A1 Method of treating a tumor or a viral disease by administering a 2' , 5' -oligoadenylate analog SANKYO COMPANY, LIMITED (JP) 2010-02-11 US disclosed
US-20100035976-A1 Method of treating a tumor or a viral disease by administering a 2' , 5' -oligoadenylate analog SANKYO COMPANY, LIMITED (JP) 2010-02-11 US disclosed
US-7651999-B2 phosphorothioate modification containg oligonadenylates useful as antiviral, anticarcinogenic and antitumor agent; stable and have superior activity for treating lung cancer SANKYO COMPANY, LIMITED (JP) 2010-01-26 US disclosed
US-7651999-B2 phosphorothioate modification containg oligonadenylates useful as antiviral, anticarcinogenic and antitumor agent; stable and have superior activity for treating lung cancer SANKYO COMPANY, LIMITED (JP) 2010-01-26 US disclosed
EP-1806350-A2 Amphipatic polycarboxylic chelates and complexes with paramagnetic metals as MRI contrast agents BRACCO International B.V. (NL) 2007-07-11 EP disclosed
EP-1153029-B1 AMPHIPATIC POLYCARBOXYLIC CHELATES AND COMPLEXES WITH PARAMAGNETIC METALS AS MRI CONTRAST AGENTS BRACCO INT BV (NL) 2007-01-10 EP disclosed
US-6652834-B2 Tensioactive properties, long lasting activity in the blood pool BRACCO INTERNATIONAL B.V. (NL) 2003-11-25 US disclosed
US-20020168321-A1 ADMINISTRABLE MRI COMPOSITIONS FOR ENHANCING THE CONTRAST BETWEEN REGIONS IN ORGANS BRACCO RESEARCH S.A. (CH) 2002-11-14 US disclosed
US-20020098152-A1 Amphipatic polycarboxylic chelates and complexes with paramagnetic metals as MRI contrast agents BRACCO INTERNATIONAL B.V. 2002-07-25 US disclosed
US-6342598-B1 BLOOD-POOL CONTRAST AGENTS OF OUTSTANDING LONG LIFE IN CIRCULATION BRACCO INTERNATIONAL B.V. (NL) 2002-01-29 US disclosed
EP-1153029-A2 AMPHIPATIC POLYCARBOXYLIC CHELATES AND COMPLEXES WITH PARAMAGNETIC METALS AS MRI CONTRAST AGENTS BRACCO INTERNATIONAL B.V. (NL) 2001-11-14 EP disclosed
EP-1105162-A1 COMBINATION OF A POSITIVE MRI CONTRAST AGENT WITH A NEGATIVE MRI CONTRAST AGENT BRACCO RESEARCH S.A. (CH) 2001-06-13 EP disclosed
WO-2000030688-A2 AMPHIPATIC POLYCARBOXYLIC CHELATES AND COMPLEXES WITH PARAMAGNETIC METALS AS MRI CONTRAST AGENTS BRACCO INTERNATIONAL B.V. (NL) 2000-06-02 WO disclosed
WO-2000009170-A1 COMBINATION OF A POSITIVE MRI CONTRAST AGENT WITH A NEGATIVE MRI CONTRAST AGENT BRACCO RESEARCH S.A. (CH) 2000-02-24 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 (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-20020098152-A1 Amphipatic polycarboxylic chelates and complexes with paramagnetic metals as MRI contrast agents SLC39A14, HAMP, PICALM CASP2 4719/4885NAAA 692/4885EPHX1 4854/4885
US-20100035976-A1 Method of treating a tumor or a viral disease by administering a 2' , 5' -oligoadenylate analog ADAR, NSUN2, ADORA3 CASP2 2647/4885NAAA 1913/4885EPHX1 1687/4885
US-20020168321-A1 ADMINISTRABLE MRI COMPOSITIONS FOR ENHANCING THE CONTRAST BETWEEN REGIONS IN ORGANS CD68, FABP1, TNNC1 CASP2 4045/4885NAAA 867/4885EPHX1 1720/4885

“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.