SCHEMBL2153073

SCHEMBL2153073

CC(C)(C)OC(=O)NCCNCC(=O)O

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.57
MAOB P27338 1/20 0.57
MEN1 O00255 1/20 0.53
GAA P10253 1/20 0.53
KMT2A Q03164 1/20 0.53
TDP1 Q9NUW8 1/20 0.51
EPHX1 P07099 1/20 0.46
CA12 O43570 6/20 0.43
CA2 P00918 6/20 0.43
CA1 P00915 5/20 0.43
CA9 Q16790 5/20 0.43
MALT1 Q9UDY8 1/20 0.40
IDO1 P14902 1/20 0.40
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
BCHE P06276 1/20 0.39
ALDH1A1 P00352 1/20 0.38
GFER P55789 1/20 0.38
CA14 Q9ULX7 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
SCHEMBL7624292 1.00 MAOA (0.57) MAOAMAOBMEN1GAAKMT2A
SCHEMBL14562406 0.89 MAOA (0.71) MAOAMAOBMEN1GAAKMT2A
SCHEMBL8632506 0.89 MAOA (0.67) MAOAMAOBMEN1GAAKMT2A
SCHEMBL25354673 0.88 MAOA (0.74) MAOAMAOBMEN1GAAKMT2A
SCHEMBL10149390 0.87 MEN1 (0.51) MAOAMAOBMEN1GAAKMT2A
SCHEMBL20801639 0.86 TDP1 (0.60) MAOAMAOBMEN1GAAKMT2A
SCHEMBL631719 0.86 TDP1 (0.60) MAOAMAOBMEN1GAAKMT2A
SCHEMBL9998912 0.86 TDP1 (0.60) MAOAMAOBMEN1GAAKMT2A
SCHEMBL7530750 0.85 MAOA (0.57) MAOAMAOBMEN1GAAKMT2A
SCHEMBL13767351 0.85 MAOA (0.57) MAOAMAOBMEN1GAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020042995-A1 HIGHLY ACTIVE STING PROTEIN AGONIST COMPOUND 杭州阿诺生物医药科技有限公司 2020-03-05 WO disclosed
US-20170333567-A1 Novel Conjugates of CC-1065 Analogs and Bifunctional Linkers SYNTARGA BV (NL) 2017-11-23 US disclosed
WO-2016043661-A1 MODIFIED PEPTIDE NUCLEIC ACIDS AND THEIR USE NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2016-03-24 WO disclosed
US-8232390-B2 Pentacyclic indole derivatives as antiviral agents ISTITUTO DI RICHERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2012-07-31 US disclosed
US-20120115136-A1 PNA DIAGNOSTIC USE PNA Patent Owners (a/k/a CIG) (US) 2012-05-10 US disclosed
EP-1074559-B1 Peptide nucleic acids BUCHARDT OLE (DK) 2011-07-06 EP disclosed
US-20100009959-A1 Pentacyclic Indole Derivatives as Antiviral Agents INSTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2010-01-14 US disclosed
EP-2027125-A1 PENTACYCLIC INDOLE DERIVATIVES AS ANTIVIRAL AGENTS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2009-02-25 EP disclosed
US-20080167491-A1 T-butoxycarbonylaminoethylamine for the Synthesis of PNA Monomer Units, Amino Acid Derivatives, Intermediates Thereof, and Processes for Productions of Them CREDIA JAPAN CO., LTD. (JP) 2008-07-10 US disclosed
US-20080167491-A1 T-butoxycarbonylaminoethylamine for the Synthesis of PNA Monomer Units, Amino Acid Derivatives, Intermediates Thereof, and Processes for Productions of Them CREDIA JAPAN CO., LTD. (JP) 2008-07-10 US disclosed
EP-0586618-B1 THE USE OF NUCLEIC ACID ANALOGUES IN DIAGNOSTICS AND ANALYTICAL PROCEDURES BUCHARDT DORTE (DK) 1997-07-16 EP disclosed
EP-0773950-A1 LINKED PEPTIDE NUCLEIC ACIDS ISIS PHARMACEUTICALS, INC. (US) 1997-05-21 EP disclosed
US-5539082-A Peptide nucleic acids NIELSEN PETER E (DK) 1996-07-23 US disclosed
WO-1996011205-A9 PEPTIDE NUCLEIC ACID CONJUGATES 1996-05-30 WO disclosed
WO-1996011205-A1 PEPTIDE NUCLEIC ACID CONJUGATES ISIS PHARMACEUTICALS, INC. (US) 1996-04-18 WO disclosed
WO-1996002558-A1 LINKED PEPTIDE NUCLEIC ACIDS ISIS PHARMACEUTICALS, INC. (US) 1996-02-01 WO disclosed
EP-0586618-A1 THE USE OF NUCLEIC ACID ANALOGUES IN DIAGNOSTICS AND ANALYTICAL PROCEDURES. BUCHARDT OLE (DK) 1994-03-16 EP disclosed
EP-0586474-A1 PEPTIDE NUCLEIC ACIDS BUCHARDT, Ole (DK) 1994-03-16 EP disclosed
WO-1992020703-A1 THE USE OF NUCLEIC ACID ANALOGUES IN DIAGNOSTICS AND ANALYTICAL PROCEDURES BUCHARDT OLE (DK) 1992-11-26 WO disclosed
WO-1992020702-A1 PEPTIDE NUCLEIC ACIDS BUCHARDT OLE (DK) 1992-11-26 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 (4 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-20120115136-A1 PNA DIAGNOSTIC USE RNASE1, NCL, PABPC4 MAOA 3782/4885MAOB 2858/4885MEN1 1735/4885
US-20170333567-A1 Novel Conjugates of CC-1065 Analogs and Bifunctional Linkers PCNA, DCLRE1A, CDC5L MAOA 3806/4885MAOB 3387/4885MEN1 1237/4885
US-20080167491-A1 T-butoxycarbonylaminoethylamine for the Synthesis of PNA Monomer Units, Amino Acid Derivatives, Intermediates Thereof, and Processes for Productions of Them BCAT1, BCAT2, RNGTT MAOA 2278/4885MAOB 2178/4885MEN1 2900/4885
US-20100009959-A1 Pentacyclic Indole Derivatives as Antiviral Agents IDO1, IDO2, ZC3HAV1 MAOA 99/4885MAOB 169/4885MEN1 3724/4885

“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.