SCHEMBL5873672

SCHEMBL5873672

O=C(NCC(=O)N1CCNCC1)OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.55
PREP P48147 2/20 0.55
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HTT P42858 1/20 0.48
FNTA P49354 1/20 0.48
FNTB P49356 1/20 0.48
TPSAB1 Q15661 1/20 0.47
TPSD1 Q9BZJ3 1/20 0.47
TPSG1 Q9NRR2 1/20 0.47
PKM P14618 1/20 0.47
KMT2A Q03164 1/20 0.47
OPRK1 P41145 1/20 0.47
SIGMAR1 Q99720 1/20 0.46
CTSL P07711 1/20 0.46
CTSB P07858 1/20 0.46
CTSS P25774 1/20 0.46
CTSK P43235 1/20 0.46
MCHR1 Q99705 1/20 0.45

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
SCHEMBL7683566 0.99 GAA (0.54) GAAPREPALDH1A1LMNASMN1; SMN2
SCHEMBL11263011 0.92 PREP (0.59) GAAPREPALDH1A1LMNASMN1; SMN2
SCHEMBL7159251 0.92 PREP (0.59) GAAPREPALDH1A1LMNASMN1; SMN2
SCHEMBL8253758 0.89 PREP (0.60) GAAPREPALDH1A1LMNASMN1; SMN2
SCHEMBL8750837 0.89 PREP (0.60) GAAPREPALDH1A1LMNASMN1; SMN2
Tert-Butyl Formate SCHEMBL27758731 0.89 SIGMAR1 (0.48) GAAPREPALDH1A1LMNASMN1; SMN2
SCHEMBL8249773 0.88 PREP (0.59) GAAPREPALDH1A1LMNASMN1; SMN2
SCHEMBL27795955 0.88 PREP (0.56) GAAPREPALDH1A1LMNASMN1; SMN2
SCHEMBL30500954 0.87 GAA (0.69) GAAPREPLMNASMN1; SMN2HTT
SCHEMBL7509784 0.85 PREP (0.54) GAAPREPALDH1A1LMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011043817-A1 COFERONS AND METHODS OF MAKING AND USING THEM CORNELL UNIVERSITY (US) 2011-04-14 WO disclosed
US-7132295-B2 Isotopically coded affinity markers 3 BAYER AKTIENGESELLSCHAFT (DE) 2006-11-07 US disclosed
US-20050049406-A1 Isotopically coded affinity markers 3 BAYER AKTIENGESELLSCHAFT (DE) 2005-03-03 US disclosed
EP-1446665-A2 ISOTOPICALLY CODED AFFINITY MARKERS 3 Bayer HealthCare AG (DE) 2004-08-18 EP disclosed
WO-2003040288-A2 ISOTOPICALLY CODED AFFINITY MARKERS 3 BAYER HEALTHCARE AG (DE) 2003-05-15 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 (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-20050049406-A1 Isotopically coded affinity markers 3 IGFBP3, FABP3, LGALS3BP GAA 4322/4885PREP 1813/4885ALDH1A1 2916/4885

“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.