SCHEMBL5201822

SCHEMBL5201822

CCOC(=O)CN(CCN)CCN

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA12 O43570 1/20 0.50
CA9 Q16790 1/20 0.50
CYP1A2 P05177 1/20 0.50
ALDH1A1 P00352 4/20 0.46
TRPA1 O75762 1/20 0.46
GAA P10253 2/20 0.44
ALOX15 P16050 1/20 0.44
MGAM O43451 1/20 0.44
SI P14410 1/20 0.44
MGAM2 Q2M2H8 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 1/20 0.36
HSD17B10 Q99714 1/20 0.36
LTA4H P09960 1/20 0.35
SOAT1 P35610 1/20 0.34
HPRT1 P00492 2/20 0.33
CPB2 Q96IY4 1/20 0.33
GSK3A P49840 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
Hydrochloric Acid SCHEMBL5201814 0.98 CA1 (0.48) CA1CA2CA12CA9CYP1A2
SCHEMBL26017636 0.96 CA1 (0.50) CA1CA2CA12CA9CYP1A2
SCHEMBL23775491 0.92 CA12 (0.47) CA1CA2CA12CA9CYP1A2
SCHEMBL11898564 0.85 CA1 (0.55) CA1CA2CA12CA9CYP1A2
SCHEMBL23620887 0.85 CA1 (0.55) CA1CA2CA12CA9CYP1A2
SCHEMBL7104102 0.83 CA12 (0.53) CA1CA2CA12CA9CYP1A2
SCHEMBL26290521 0.82 CA1 (0.46) CA1CA2CA12CA9CYP1A2
SCHEMBL5851951 0.82 CA1 (0.57) CA1CA2CA12CA9CYP1A2
SCHEMBL1638599 0.82 CYP1A2 (0.50) CA1CA2CA12CA9CYP1A2
SCHEMBL65107 0.82 CA12 (0.61) CA1CA2CA12CA9CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8030358-B2 Methods and pharmaceutical compositions for decorporation of radioactive compounds UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2011-10-04 US disclosed
US-8030358-B2 Methods and pharmaceutical compositions for decorporation of radioactive compounds UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2011-10-04 US disclosed
US-20090124692-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR DECORPORATION OF RADIOACTIVE COMPOUNDS UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION 2009-05-14 US disclosed
US-20090124692-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR DECORPORATION OF RADIOACTIVE COMPOUNDS UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION 2009-05-14 US disclosed
EP-0773950-B1 LINKED PEPTIDE NUCLEIC ACIDS ISIS PHARMACEUTICALS INC (US) 2007-08-22 EP disclosed
US-20030105286-A1 Linked peptide nucleic acids EGHOLM MICHAEL (US) 2003-06-05 US disclosed
US-6441130-B1 FORM TRIPLE STRANDED STRUCTURES WITH NUCLEIC ACIDS ISIS PHARMACEUTICALS, INC. 2002-08-27 US disclosed
EP-0773950-A4 LINKED PEPTIDE NUCLEIC ACIDS ISIS PHARMACEUTICALS INC (US) 2000-05-17 EP disclosed
EP-0773950-A1 LINKED PEPTIDE NUCLEIC ACIDS ISIS PHARMACEUTICALS, INC. (US) 1997-05-21 EP disclosed
WO-1996002558-A1 LINKED PEPTIDE NUCLEIC ACIDS ISIS PHARMACEUTICALS, INC. (US) 1996-02-01 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 (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-20030105286-A1 Linked peptide nucleic acids RNGTT, NT5C3B, DPYD CA1 3250/4885CA2 4089/4885CA12 3393/4885
US-20090124692-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR DECORPORATION OF RADIOACTIVE COMPOUNDS PIGS, SLC10A1, TRHDE CA1 300/4885CA2 1490/4885CA12 215/4885

“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.