SCHEMBL10064044

SCHEMBL10064044

CCCCC(=O)NC(COC)COC

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 1/20 0.51
MEN1 O00255 1/20 0.48
FAAH O00519 1/20 0.48
MAPK1 P28482 1/20 0.48
KMT2A Q03164 1/20 0.48
PLA2G2C Q5R387 2/20 0.47
PLA2G10 O15496 3/20 0.44
CPT2 P23786 1/20 0.43
CPT1A P50416 1/20 0.43
CPT1B Q92523 1/20 0.43
PLA2G1B P04054 1/20 0.42
PLA2G2A P14555 1/20 0.42
LPAR3 Q9UBY5 1/20 0.42
PLA2G4A P47712 1/20 0.42
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL20643697 0.91 DNM1 (0.47) DNM1MEN1FAAHMAPK1KMT2A
SCHEMBL13363959 0.82 DNM1 (0.54) DNM1MEN1FAAHMAPK1KMT2A
SCHEMBL10657930 0.80 NOD1 (0.55) MEN1FAAHMAPK1KMT2ALPAR3
SCHEMBL10657934 0.80 NOD1 (0.55) MEN1FAAHMAPK1KMT2ALPAR3
SCHEMBL25594538 0.79 CYP2C9 (0.45) DNM1MEN1KMT2APLA2G2C
SCHEMBL22183458 0.79 CNR2 (0.40) DNM1PLA2G2CCNR1CNR2
SCHEMBL20803682 0.78 FAAH (0.55) DNM1MEN1FAAHMAPK1KMT2A
SCHEMBL26508154 0.78 LPAR3 (0.59) FAAHLPAR3PLA2G4ACNR1CNR2
SCHEMBL19142525 0.78 DNM1 (0.56) DNM1MEN1FAAHMAPK1KMT2A
SCHEMBL22247594 0.77 MEN1 (0.44) DNM1MEN1KMT2APLA2G2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10982007-B2 Detection of a posttranslationally modified polypeptide by a bivalent binding agent ROCHE DIAGNOSTICS OPERATIONS, INC. (US) 2021-04-20 US disclosed
US-20200277406-A1 BINDING AGENT ROCHE DIAGNOSTICS GMBH (DE) 2020-09-03 US disclosed
US-20200207874-A1 POLYPEPTIDE-POLYNUCLEOTIDE-COMPLEX AND ITS USE IN TARGETED EFFECTOR MOIETY DELIVERY HOFFMANN-LA ROCHE INC. (US) 2020-07-02 US disclosed
US-10633460-B2 Binding agent ROCHE DIAGNOSTIC OPERATIONS, INC. (US) 2020-04-28 US disclosed
EP-2659275-B1 DETECTION OF A POLYPEPTIDE DIMER BY A BIVALENT BINDING AGENT ROCHE DIAGNOSTICS GMBH (DE) 2017-11-22 EP disclosed
EP-2036897-B1 Stable rhodamine labeling reagent ROCHE DIAGNOSTICS GMBH (DE) 2017-10-18 EP disclosed
US-20170275380-A1 DETECTION OF A POLYPEPTIDE DIMER BY A BIVALENT BINDING AGENT ROCHE DIAGNOSTICS OPERATIONS INC (US) 2017-09-28 US disclosed
US-20170275381-A1 DETECTION OF A POSTTRANSLATIONALLY MODIFIED POLYPEPTIDE BY A BIVALENT BINDING AGENT ROCHE DIAGNOSTICS GMBH (DE) 2017-09-28 US disclosed
EP-2867255-B1 METHOD FOR THE SELECTION AND PRODUCTION OF TAILOR-MADE, SELECTIVE AND MULTI-SPECIFIC THERAPEUTIC MOLECULES COMPRISING AT LEAST TWO DIFFERENT TARGETING ENTITIES AND USES THEREOF HOFFMANN LA ROCHE (CH) 2017-07-19 EP disclosed
US-20160194410-A1 BINDING AGENT ROCHE DIAGNOSTICS GMBH (DE) 2016-07-07 US disclosed
US-20150232560-A1 METHOD FOR THE SELECTION AND PRODUCTION OF TAILOR-MADE, SELECTIVE AND MULTI-SPECIFIC THERAPEUTIC MOLECULES COMPRISING AT LEAST TWO DIFFERENT TARGETING ENTITIES AND USES THEREOF HOFFMANN-LA ROCHE INC. (US) 2015-08-20 US disclosed
US-20130288266-A1 DETECTION OF A POSTTRANSLATIONALLY MODIFIED POLYPEPTIDE BY A BI-VALENT BINDING AGENT ROCHE DIAGNOSTICS OPERATIONS, INC. (US) 2013-10-31 US disclosed
US-20130288267-A1 DETECTION OF A POLYPEPTIDE DIMER BY A BIVALENT BINDING AGENT ROCHE DIAGNOSTICS OPERATIONS, INC. (US) 2013-10-31 US disclosed
US-20130289251-A1 BINDING AGENT ROCHE DIAGNOSTICS GMBH (DE) 2013-10-31 US disclosed
WO-2012085111-A1 POLYPEPTIDE-POLYNUCLEOTIDE-COMPLEX AND ITS USE IN TARGETED EFFECTOR MOIETY DELIVERY F. HOFFMANN-LA ROCHE AG (CH) 2012-06-28 WO disclosed
WO-2012085113-A1 BINDING AGENT ROCHE DIAGNOSTICS GMBH (DE) 2012-06-28 WO disclosed
WO-2012085064-A1 DETECTION OF A POSTTRANSLATIONALLY MODIFIED POLYPEPTIDE BY A BI-VALENT BINDING AGENT ROCHE DIAGNOSTICS GMBH (DE) 2012-06-28 WO disclosed
WO-2012085069-A2 DETECTION OF A POLYPEPTIDE DIMER BY A BIVALENT BINDING AGENT ROCHE DIAGNOSTICS GMBH (DE) 2012-06-28 WO disclosed
EP-2036897-A1 Stable rhodamine labeling reagent Roche Diagnostics GmbH (DE) 2009-03-18 EP 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 (11 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-20130289251-A1 BINDING AGENT SSB, APBA1, SHBG DNM1 2490/4885MEN1 2471/4885FAAH 3370/4885
US-20150232560-A1 METHOD FOR THE SELECTION AND PRODUCTION OF TAILOR-MADE, SELECTIVE AND MULTI-SPECIFIC THERAPEUTIC MOLECULES COMPRISING AT LEAST TWO DIFFERENT TARGETING ENTITIES AND USES THEREOF FCGR3B, VSIG8, CD47 DNM1 647/4885MEN1 1717/4885FAAH 4349/4885
US-10982007-B2 Detection of a posttranslationally modified polypeptide by a bivalent binding agent PTMS, CD2BP2, PSMA2 DNM1 2211/4885MEN1 2130/4885FAAH 4058/4885
US-20160194410-A1 BINDING AGENT SSB, APBA1, SHBG DNM1 2451/4885MEN1 2482/4885FAAH 3377/4885
US-20170275381-A1 DETECTION OF A POSTTRANSLATIONALLY MODIFIED POLYPEPTIDE BY A BIVALENT BINDING AGENT PTMS, CD2BP2, PSMA2 DNM1 2211/4885MEN1 2130/4885FAAH 4058/4885
US-20130288266-A1 DETECTION OF A POSTTRANSLATIONALLY MODIFIED POLYPEPTIDE BY A BI-VALENT BINDING AGENT PTMS, DNPEP, CD2BP2 DNM1 1705/4885MEN1 2004/4885FAAH 4046/4885
US-20200207874-A1 POLYPEPTIDE-POLYNUCLEOTIDE-COMPLEX AND ITS USE IN TARGETED EFFECTOR MOIETY DELIVERY PNKP, RNASE1, DCLRE1B DNM1 2157/4885MEN1 2817/4885FAAH 4529/4885
US-10633460-B2 Binding agent SSB, APBA1, SHBG DNM1 2451/4885MEN1 2482/4885FAAH 3377/4885
US-20130288267-A1 DETECTION OF A POLYPEPTIDE DIMER BY A BIVALENT BINDING AGENT PA2G4, BRDT, CD2BP2 DNM1 1159/4885MEN1 1140/4885FAAH 4140/4885
US-20170275380-A1 DETECTION OF A POLYPEPTIDE DIMER BY A BIVALENT BINDING AGENT PA2G4, BRDT, CD2BP2 DNM1 1159/4885MEN1 1140/4885FAAH 4140/4885
US-20200277406-A1 BINDING AGENT SSB, APBA1, SHBG DNM1 2451/4885MEN1 2482/4885FAAH 3377/4885

“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.