SCHEMBL3448774

SCHEMBL3448774

COCC(C)(C)C(N)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.48
ALDH1A1 P00352 1/20 0.48
MAPT P10636 1/20 0.48
SLC1A1 P43005 3/20 0.37
SLC1A3 P43003 2/20 0.37
SLC1A2 P43004 2/20 0.37
SLC7A5 Q01650 2/20 0.33
DDAH1 O94760 2/20 0.33
GRIK1 P39086 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
LMNA P02545 1/20 0.32
HSD17B10 Q99714 1/20 0.32
KDM4E B2RXH2 1/20 0.32
GRIN2D O15399 1/20 0.32
GRIN3B O60391 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2A Q12879 1/20 0.32
GRIN2B Q13224 1/20 0.32
GRIN2C Q14957 1/20 0.32

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
SCHEMBL19388173 0.81 ALDH1A1 (0.43) PTGS1ALDH1A1MAPTSLC1A1SLC1A3
SCHEMBL20960490 0.78 PTGS1 (0.54) PTGS1ALDH1A1MAPTSLC1A1SLC1A3
SCHEMBL9450997 0.77 CPT2 (0.34)
SCHEMBL30170381 0.77 ALOX15 (0.38) ALDH1A1LMNAHSD17B10GRIN2DGRIN3B
SCHEMBL28705428 0.76 PTGS1 (0.52) PTGS1ALDH1A1MAPTSLC1A1SLC1A3
SCHEMBL3821550 0.76 ALDH1A1 (0.52) PTGS1ALDH1A1MAPTSLC1A1SLC1A3
SCHEMBL4956090 0.76 PTGS1 (0.52) PTGS1ALDH1A1MAPTSLC1A1SLC1A3
SCHEMBL1631413 0.76 ALDH1A1 (0.52) PTGS1ALDH1A1MAPTSLC1A1SLC1A3
SCHEMBL4851556 0.76 PTGS1 (0.52) PTGS1ALDH1A1MAPTSLC1A1SLC1A3
SCHEMBL9451010 0.76 ALDH1A1 (0.32) ALDH1A1

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-7820673-B2 Urea derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-10-26 US disclosed
US-20070093501-A1 Urea derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-04-26 US disclosed
EP-1695961-A1 UREA DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Pharmaceutical Company Limited (JP) 2006-08-30 EP disclosed
US-5182370-A Diagnostic NMR imaging BRACCO INDUSTRIA CHIMICA S.P.A. (IT) 1993-01-26 US disclosed
US-4980502-A For nuclear magnetic resonance imaging BRACCO INDUSTRIA CHIMICA, S.P.A. (IT) 1990-12-25 US disclosed
EP-0230893-B1 PARAMAGNETIC CHELATES BRACCO INDUSTRIA CHIMICA Società per Azioni (IT) 1990-06-13 EP disclosed
US-4916246-A Paramagnetic chelates useful for NMR imaging BRACCO CHIMICA S.P.A. (IT) 1990-04-10 US disclosed
EP-0230893-A2 Paramagnetic chelates BRACCO INDUSTRIA CHIMICA Società per Azioni (IT) 1987-08-05 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 (1 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-20070093501-A1 Urea derivative, process for producing the same, and use F2, URB2, F12 PTGS1 1660/4885ALDH1A1 3712/4885MAPT 4264/4885

“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.