SCHEMBL2217142

SCHEMBL2217142

COC(=O)CCC(N)CCC(=O)OC

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.57
SLC1A1 P43005 1/20 0.55
LMNA P02545 3/20 0.46
KDM4E B2RXH2 1/20 0.46
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
ANPEP P15144 3/20 0.41
ENPEP Q07075 3/20 0.41
CA12 O43570 1/20 0.41
CA14 Q9ULX7 1/20 0.41
HSD17B10 Q99714 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MGAM O43451 1/20 0.40
GAA P10253 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL28877728 0.91 SLC1A1 (0.49) TSHRSLC1A1LMNAKDM4EKMT2A
SCHEMBL2948709 0.89 TSHR (0.50) TSHRSLC1A1LMNAKDM4EKMT2A
SCHEMBL12534353 0.89 TSHR (0.50) TSHRSLC1A1LMNAKDM4EKMT2A
SCHEMBL12534390 0.88 SLC1A1 (0.46) TSHRSLC1A1LMNAKDM4EKMT2A
Hydrochloric Acid SCHEMBL4740477 0.87 SLC1A1 (0.49) TSHRSLC1A1LMNAKDM4EKMT2A
SCHEMBL10941376 0.87 SLC1A1 (0.49) TSHRSLC1A1LMNAKDM4EKMT2A
SCHEMBL10941385 0.87 SLC1A1 (0.49) TSHRSLC1A1LMNAKDM4EKMT2A
SCHEMBL21015017 0.86 ALDH1A1 (0.49) TSHRSLC1A1KMT2AMEN1CA12
SCHEMBL4957134 0.85
SCHEMBL12636356 0.85 SLC1A1 (0.51) TSHRSLC1A1LMNAKDM4EKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150112051-A1 CONSTRUCTION OF CELL PENETRATING NUCLEIC ACIDS Panzner, Steffen 2015-04-23 US disclosed
US-20150112051-A1 CONSTRUCTION OF CELL PENETRATING NUCLEIC ACIDS Panzner, Steffen 2015-04-23 US disclosed
EP-2526096-B1 4-PHENOXY-NICOTINAMIDE OR 4-PHENOXY-PYRIMIDINE-5-CARBOXAMIDE COMPOUNDS HOFFMANN LA ROCHE (CH) 2015-04-22 EP disclosed
US-8957191-B2 Nucleic acid comprising zwitterionic nucleotides STEFFEN PANZNER (DE) 2015-02-17 US disclosed
US-8957191-B2 Nucleic acid comprising zwitterionic nucleotides STEFFEN PANZNER (DE) 2015-02-17 US disclosed
US-8729091-B2 4-phenoxy-nicotinamide or 4-phenoxy-pyrimidine-5-carboxamide compounds HOFFMANN-LA ROCHE INC. (US) 2014-05-20 US disclosed
US-20130150372-A1 4-PHENOXY-NICOTINAMIDE OR 4-PHENOXY-PYRIMIDINE-5-CARBOXAMIDE COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2013-06-13 US disclosed
US-8420647-B2 4-phenoxy-nicotinamide or 4-phenoxy-pyrimidine-5-carboxamide compounds HOFFMANN-LA ROCHE INC. (US) 2013-04-16 US disclosed
WO-2011089099-A1 4-PHENOXY-NICOTINAMIDE OR 4-PHENOXY-PYRIMIDINE-5-CARBOXAMIDE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2011-07-28 WO disclosed
US-20110178089-A1 4-PHENOXY-NICOTINAMIDE OR 4-PHENOXY-PYRIMIDINE-5-CARBOXAMIDE COMPOUNDS HOFFMANN-LA ROCHE, INC. 2011-07-21 US disclosed
US-20110137019-A1 NUCLEIC ACID COMPRISING ZWITTERIONIC NUCLEOTIDES BIONTECH PROTEIN THERAPEUTICS GMBH (DE) 2011-06-09 US disclosed
US-20110137019-A1 NUCLEIC ACID COMPRISING ZWITTERIONIC NUCLEOTIDES BIONTECH PROTEIN THERAPEUTICS GMBH (DE) 2011-06-09 US disclosed
EP-2143726-A1 Nucleic acid comprising zwitterionic nucleotides Novosom AG (DE) 2010-01-13 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 (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-20130150372-A1 4-PHENOXY-NICOTINAMIDE OR 4-PHENOXY-PYRIMIDINE-5-CARBOXAMIDE COMPOUNDS P2RY1, GPBAR1, ADORA1 TSHR 1538/4885SLC1A1 607/4885LMNA 2130/4885
US-20110137019-A1 NUCLEIC ACID COMPRISING ZWITTERIONIC NUCLEOTIDES NSUN3, NCL, NUDT1 TSHR 1458/4885SLC1A1 169/4885LMNA 271/4885
US-20110178089-A1 4-PHENOXY-NICOTINAMIDE OR 4-PHENOXY-PYRIMIDINE-5-CARBOXAMIDE COMPOUNDS P2RY1, GPBAR1, ADORA1 TSHR 1538/4885SLC1A1 607/4885LMNA 2130/4885

“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.