SCHEMBL9952145

SCHEMBL9952145

CCCC(N)OOOC(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A2 P43004 3/20 0.37
SLC1A1 P43005 3/20 0.37
GRIK1 P39086 3/20 0.37
GRIK2 Q13002 3/20 0.37
SLC1A3 P43003 2/20 0.37
CHRM1 P11229 1/20 0.37
AKR1A1 P14550 1/20 0.37
CHRM3 P20309 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
ADRA1A P35348 1/20 0.37
HRH1 P35367 1/20 0.37
DRD3 P35462 1/20 0.37
SLC6A3 Q01959 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ALDH1A1 P00352 1/20 0.35
METAP1 P53582 2/20 0.31
CYP3A4 P08684 2/20 0.31

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
SCHEMBL11287487 0.85 GRIK1 (0.47) SLC1A2SLC1A1GRIK1GRIK2SLC1A3
SCHEMBL1372792 0.76 SLC1A2 (0.47) SLC1A2SLC1A1GRIK1GRIK2SLC1A3
SCHEMBL19411253 0.75 GRIK1 (0.35) SLC1A2SLC1A1GRIK1GRIK2SLC1A3
SCHEMBL28504041 0.73 CA2 (0.38) SLC1A2SLC1A1SLC1A3CHRM1AKR1A1
SCHEMBL8345116 0.68 MAPT (0.30)
SCHEMBL15018035 0.68 GPR84 (0.40)
SCHEMBL9482413 0.67 SLC1A2 (0.39) SLC1A2SLC1A1GRIK1GRIK2SLC1A3
SCHEMBL9480412 0.67 SLC1A2 (0.39) SLC1A2SLC1A1GRIK1GRIK2SLC1A3
Propane SCHEMBL27465982 0.67
Isobutane SCHEMBL27468822 0.67

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 26 patents — showing the first 20. 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-10633460-B2 Binding agent ROCHE DIAGNOSTIC OPERATIONS, INC. (US) 2020-04-28 US disclosed
EP-2655413-B1 POLYPEPTIDE-POLYNUCLEOTIDE-COMPLEX AND ITS USE IN TARGETED EFFECTOR MOIETY DELIVERY HOFFMANN LA ROCHE (CH) 2019-01-16 EP disclosed
EP-2655414-B1 BISPECIFIC BINDING AGENT ROCHE DIAGNOSTICS GMBH (DE) 2018-08-29 EP disclosed
EP-2659275-B1 DETECTION OF A POLYPEPTIDE DIMER BY A BIVALENT BINDING AGENT ROCHE DIAGNOSTICS GMBH (DE) 2017-11-22 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
EP-2659269-B1 DETECTION OF A POSTTRANSLATIONALLY MODIFIED POLYPEPTIDE BY A BI-VALENT BINDING AGENT ROCHE DIAGNOSTICS GMBH (DE) 2016-10-26 EP disclosed
EP-2659269-A1 DETECTION OF A POSTTRANSLATIONALLY MODIFIED POLYPEPTIDE BY A BI-VALENT BINDING AGENT Roche Diagniostics GmbH (DE) 2013-11-06 EP 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
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
EP-2655414-A1 BINDING AGENT Roche Diagniostics GmbH (DE) 2013-10-30 EP disclosed
EP-2655413-A1 POLYPEPTIDE-POLYNUCLEOTIDE-COMPLEX AND ITS USE IN TARGETED EFFECTOR MOIETY DELIVERY F.HOFFMANN-LA ROCHE AG (CH) 2013-10-30 EP disclosed
WO-2012085069-A2 DETECTION OF A POLYPEPTIDE DIMER BY A BIVALENT 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-2012085113-A1 BINDING AGENT ROCHE DIAGNOSTICS GMBH (DE) 2012-06-28 WO 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 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 SLC1A2 2094/4885SLC1A1 2051/4885GRIK1 3828/4885
US-10982007-B2 Detection of a posttranslationally modified polypeptide by a bivalent binding agent PTMS, CD2BP2, PSMA2 SLC1A2 3232/4885SLC1A1 3772/4885GRIK1 3013/4885
US-20170275381-A1 DETECTION OF A POSTTRANSLATIONALLY MODIFIED POLYPEPTIDE BY A BIVALENT BINDING AGENT PTMS, CD2BP2, PSMA2 SLC1A2 3232/4885SLC1A1 3772/4885GRIK1 3013/4885
US-20130288266-A1 DETECTION OF A POSTTRANSLATIONALLY MODIFIED POLYPEPTIDE BY A BI-VALENT BINDING AGENT PTMS, DNPEP, CD2BP2 SLC1A2 2071/4885SLC1A1 1831/4885GRIK1 2524/4885
US-10633460-B2 Binding agent SSB, APBA1, SHBG SLC1A2 2105/4885SLC1A1 2044/4885GRIK1 3840/4885
US-20130288267-A1 DETECTION OF A POLYPEPTIDE DIMER BY A BIVALENT BINDING AGENT PA2G4, BRDT, CD2BP2 SLC1A2 4313/4885SLC1A1 4669/4885GRIK1 2852/4885
US-20170275380-A1 DETECTION OF A POLYPEPTIDE DIMER BY A BIVALENT BINDING AGENT PA2G4, BRDT, CD2BP2 SLC1A2 4313/4885SLC1A1 4669/4885GRIK1 2852/4885
US-20200277406-A1 BINDING AGENT SSB, APBA1, SHBG SLC1A2 2105/4885SLC1A1 2044/4885GRIK1 3840/4885

“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.