SCHEMBL2083582

SCHEMBL2083582

O=C(NCC(=O)C1CC(=O)N(O)C1=O)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
PREP P48147 2/20 0.46
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HTT P42858 1/20 0.44
KDM1A O60341 1/20 0.43
RCOR1 Q9UKL0 1/20 0.43
GAA P10253 2/20 0.43
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
CTSS P25774 1/20 0.43
CTSK P43235 1/20 0.43
TPSAB1 Q15661 1/20 0.43
TPSD1 Q9BZJ3 1/20 0.43
TPSG1 Q9NRR2 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL1660941 0.80 HPGD (0.49) ALDH1A1L3MBTL1
SCHEMBL17941734 0.79 KMT2A (0.47) KMT2A
SCHEMBL9186562 0.78 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2KMT2AL3MBTL1
SCHEMBL9684920 0.78 CTSK (0.49) PREPLMNACTSLCTSBCTSS
SCHEMBL11065137 0.77 HTT (0.51) ALDH1A1PREPLMNASMN1; SMN2HTT
SCHEMBL5257373 0.77 CTSB (0.54) CTSLCTSBCTSSCTSK
SCHEMBL9115315 0.73 ELANE (0.44) ALDH1A1PREPGAA
SCHEMBL5726699 0.72 LMNA (0.61) ALDH1A1LMNASMN1; SMN2HTTCTSL
SCHEMBL126974 0.72 HTT (0.66) ALDH1A1LMNASMN1; SMN2HTTCTSL
SCHEMBL6741072 0.72 LMNA (0.65) ALDH1A1LMNASMN1; SMN2HTTKDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7863304-B2 Analogs of glycyl-prolyl-glutamate NEUREN PHARMACEUTICALS LIMITED (NZ) 2011-01-04 US disclosed
EP-1888618-A4 ANALOGS OF GLYCYL-PROLYL-GLUTAMATE NEUREN PHARMACEUTICALS LTD (NZ) 2009-07-15 EP disclosed
US-20080145335-A1 Analogs of Glycyl-Prolyl-Glutamate NEUREN PHARMACEUTICALS LIMITED (NZ) 2008-06-19 US disclosed
EP-1888618-A2 ANALOGS OF GLYCYL-PROLYL-GLUTAMATE Neuren Pharmaceuticals Limited (NZ) 2008-02-20 EP disclosed
EP-1500657-B1 Substituted pyrazoles as P38 kinase inhibitors SEARLE LLC (US) 2007-09-19 EP disclosed
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma PHARMACIA CORPORATION 2007-04-05 US disclosed
US-7153959-B2 treatment of tumor necrosis factor mediated disorders; asthma; inflammatory bowel disease; arthritis PHARMACIA CORPORATION (US) 2006-12-26 US disclosed
WO-2006127702-A2 ANALOGS OF GLYCYL-PROLYL-GLUTAMATE NEUREN PHARMACEUTICALS LIMITED (NZ) 2006-11-30 WO disclosed
US-7071198-B1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma PHARMACIA CORPORATION (US) 2006-07-04 US disclosed
US-6979686-B1 Substituted pyrazoles as p38 kinase inhibitors PHARMACIA CORPORATION (US) 2005-12-27 US disclosed
US-4226979-A ANTIBIOTICS, BACTERICIDES ABBOTT LABORATORIES (US) 1980-10-07 US disclosed
US-4219644-A Fortimicins AH and AI ABBOTT LABORATORIES (US) 1980-08-26 US disclosed
US-4219642-A Fortimicin AO ABBOTT LABORATORIES (US) 1980-08-26 US disclosed
US-4216210-A Fortimicins AM and AP derivatives ABBOTT LABORATORIES (US) 1980-08-05 US disclosed
US-4214079-A 4-N, 2'-N and 4,2'-Di-N-fortimicin AL derivatives ABBOTT LABORATORIES (US) 1980-07-22 US disclosed
US-4214078-A Fortimicin AL ABBOTT LABORATORIES (US) 1980-07-22 US disclosed
US-4213974-A ANTIBACTERIAL ABBOTT LABORATORIES (US) 1980-07-22 US disclosed
US-4213971-A BACTERICIDES ABBOTT LABORATORIES (US) 1980-07-22 US disclosed
US-4213972-A BACTERICIDES ABBOTT LABORATORIES (US) 1980-07-22 US disclosed
US-4183920-A ANTIBIOTICS ABBOTT LABORATORIES (US) 1980-01-15 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-20080145335-A1 Analogs of Glycyl-Prolyl-Glutamate GLS, GLUL, HIF1A ALDH1A1 574/4885PREP 24/4885LMNA 2571/4885
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma MAPK1, MAPK3, MAPK4 ALDH1A1 1079/4885PREP 1023/4885LMNA 4386/4885

“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.