SCHEMBL12675370

SCHEMBL12675370

COCCCCCCNC(=O)CCCCC1SCC2NC(=O)NC21

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.67
PLCD1 P51178 1/20 0.67
F2 P00734 1/20 0.64
PRSS1 P07477 1/20 0.64
PRSS2 P07478 1/20 0.64
PRSS3 P35030 1/20 0.64
TPSAB1 Q15661 1/20 0.64
CNR1 P21554 3/20 0.59
FOLH1 Q04609 2/20 0.58
PKM P14618 2/20 0.58
MEN1 O00255 1/20 0.58
ABL1 P00519 1/20 0.58
LMNA P02545 1/20 0.58
IDE P14735 1/20 0.58
MAPK1 P28482 1/20 0.58
KMT2A Q03164 1/20 0.58
RIN1 Q13671 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
CNR2 P34972 1/20 0.57
ITGB1 P05556 1/20 0.57

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
SCHEMBL13497919 1.00 TDP1 (0.67) TDP1PLCD1F2PRSS1PRSS2
SCHEMBL16602989 0.96 TDP1 (0.68) TDP1PLCD1F2PRSS1PRSS2
SCHEMBL16715735 0.96 TDP1 (0.68) TDP1PLCD1F2PRSS1PRSS2
SCHEMBL19775860 0.93 TDP1 (0.69) TDP1PLCD1F2PRSS1PRSS2
SCHEMBL21101323 0.93 TDP1 (0.69) TDP1PLCD1F2PRSS1PRSS2
SCHEMBL19775861 0.93 TDP1 (0.69) TDP1PLCD1F2PRSS1PRSS2
SCHEMBL19776155 0.93 TDP1 (0.69) TDP1PLCD1F2PRSS1PRSS2
SCHEMBL12836947 0.93 TDP1 (0.69) TDP1PLCD1F2PRSS1PRSS2
SCHEMBL18779801 0.91 TDP1 (0.78) TDP1PLCD1F2PRSS1PRSS2
SCHEMBL15672766 0.91 F2 (0.66) TDP1PLCD1F2PRSS1PRSS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110117569-A1 POLYMIDE NUCLEIC ACID DERIVATIVES, AND AGENTS AND PROCESSES FOR PREPARING THEM SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2011-05-19 US disclosed
US-7897346-B2 Polyamide nucleic acid derivatives and agents, and processes for preparing them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2011-03-01 US disclosed
US-20100290992-A1 NANOPARTICLE NUCLEIC ACID BINDING COMPOUND CONJUGATES FORMING I-MOTIFS ROCHE DIAGNOSTICS GMBH (DE) 2010-11-18 US disclosed
US-20100290992-A1 NANOPARTICLE NUCLEIC ACID BINDING COMPOUND CONJUGATES FORMING I-MOTIFS ROCHE DIAGNOSTICS GMBH (DE) 2010-11-18 US disclosed
US-20100022016-A1 POLYAMIDE NUCLEIC ACID DERIVATIVES AND AGENTS, AND PROCESSES FOR PREPARING THEM SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2010-01-28 US disclosed
US-7550582-B2 labeled Peptide Nucleic Acid (PNA) derivatives which carry one or more phosphoryl radicals at the N terminus of the PNA backbone for fluorescence in-situ hybridization (FISH) detection; can be purified using chromatography or electrophoresis; use as pharmaceuticals and diagnostic agents SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2009-06-23 US disclosed
US-20080070258-A1 labeled Peptide Nucleic Acid (PNA) derivatives which carry one or more phosphoryl radicals at the N terminus of the PNA backbone for fluorescence in-situ hybridization (FISH) detection; can be purified using chromatography or electrophoresis; use as pharmaceuticals and diagnostic agents AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2008-03-20 US disclosed
US-7241882-B2 Polyamide nucleic acid derivatives, and agents, and processes for preparing them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-07-10 US 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 (2 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-20080070258-A1 labeled Peptide Nucleic Acid (PNA) derivatives which carry one or more phosphoryl radicals at the N terminus of the PNA backbone for fluorescence in-situ hybridization (FISH) detection; can be purified using chromatography or electrophoresis; use as pharmaceuticals and diagnostic agents NPPA, PNKP, PHAX TDP1 109/4885PLCD1 217/4885F2 2623/4885
US-20100290992-A1 NANOPARTICLE NUCLEIC ACID BINDING COMPOUND CONJUGATES FORMING I-MOTIFS POLM, IGF2BP1, POLRMT TDP1 319/4885PLCD1 3702/4885F2 4191/4885

“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.