SCHEMBL12258917

SCHEMBL12258917

CCOC(=O)[C@@H]1CN(C(=O)CNC(=O)OCc2ccccc2)C[C@@H]1O

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PREP P48147 2/20 0.46
ALDH1A1 P00352 2/20 0.44
CTSK P43235 2/20 0.43
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
CTSS P25774 1/20 0.43
CYP3A4 P08684 1/20 0.43
HTT P42858 1/20 0.42
OPRK1 P41145 1/20 0.42
DPP8 Q6V1X1 1/20 0.41
DPP7 Q9UHL4 1/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TPSAB1 Q15661 1/20 0.40
TPSD1 Q9BZJ3 1/20 0.40
TPSG1 Q9NRR2 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
SCHEMBL13032690 1.00 PREP (0.46) PREPALDH1A1CTSKCTSLCTSB
SCHEMBL11992531 0.88 PREP (0.48) PREPALDH1A1CTSKCTSLCTSB
SCHEMBL16187766 0.88 PREP (0.48) PREPALDH1A1CTSKCTSLCTSB
SCHEMBL18069609 0.88 PREP (0.48) PREPALDH1A1CTSKCTSLCTSB
SCHEMBL3425321 0.86 PREP (0.50) PREPHTTDPP8DPP7TPSAB1
SCHEMBL13032685 0.85 PREP (0.50) PREPALDH1A1CTSKCTSLCTSB
SCHEMBL12056587 0.83 SMN1; SMN2 (0.49) ALDH1A1HTTSMN1; SMN2L3MBTL1
SCHEMBL3421050 0.83 SMN1; SMN2 (0.49) ALDH1A1HTTSMN1; SMN2L3MBTL1
SCHEMBL12056593 0.83 SMN1; SMN2 (0.49) ALDH1A1HTTSMN1; SMN2L3MBTL1
SCHEMBL11992532 0.81 PREP (0.50) PREPALDH1A1CTSKCTSLCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8507661-B2 Modified iRNA agents ALNYLAM PHARMACEUTICALS, INC. (US) 2013-08-13 US disclosed
US-8404862-B2 Ligand-conjugated monomers ALNYLAM PHARMACEUTICALS, INC. (US) 2013-03-26 US disclosed
US-8017763-B2 Chemically modified oligonucleotides ALNYLAM PHARMACEUTICALS, INC. (US) 2011-09-13 US disclosed
US-20100292455-A1 MODIFIED iRNA AGENTS ALNYLAM PHARMACEUTICALS (US) 2010-11-18 US disclosed
US-20100267810-A1 METHODS AND COMPOSITIONS FOR TREATING NEUROLOGICAL DISEASE UNIVERSITY OF MASSACHUSETTS (US) 2010-10-21 US disclosed
US-7745608-B2 Modified iRNA agents ALNYLAM PHARMACEUTICALS, INC. (US) 2010-06-29 US disclosed
US-20100069471-A1 CHEMICALLY MODIFIED OLIGONUCLEOTIDES ALNYLAM PHARMACEUTICALS, INC. (US) 2010-03-18 US disclosed
US-20090286973-A1 LIGAND-CONJUGATED MONOMERS ALNYLAM PHARMACEUTICALS, INC. (US) 2009-11-19 US disclosed
US-7582744-B2 containing 2'-O-methyl modified nucleoside; oligonucleotide having a nucleotide sequence consisting of from 12 to 23 nucleotides in length sufficiently complementary to a microRNA target sequence of about 12 to 23 nucleotides, conjugate with a cholesterol or steroid; for inhibiting gene expression ALNYLAM PHARMACEUTICALS, INC. (US) 2009-09-01 US disclosed
US-20070161591-A1 Methods and compositions for treating neurological disease UNIVERSITY OF MASSACHUSETTS (US) 2007-07-12 US disclosed
US-20070105803-A1 Methods and compositions for treating neurological disease MASSACHUSETTS, UNIVERSITY OF 2007-05-10 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 (6 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-20100069471-A1 CHEMICALLY MODIFIED OLIGONUCLEOTIDES NSUN2, RNGTT, DCLRE1B PREP 4401/4885ALDH1A1 2364/4885CTSK 2897/4885
US-20070161591-A1 Methods and compositions for treating neurological disease SMN1; SMN2, CLN6, INA PREP 3616/4885ALDH1A1 2103/4885CTSK 1041/4885
US-20100292455-A1 MODIFIED iRNA AGENTS NCL, HNRNPA0, HNRNPA1 PREP 4740/4885ALDH1A1 1745/4885CTSK 2838/4885
US-20100267810-A1 METHODS AND COMPOSITIONS FOR TREATING NEUROLOGICAL DISEASE SMN1; SMN2, CLN6, INA PREP 3616/4885ALDH1A1 2103/4885CTSK 1041/4885
US-20070105803-A1 Methods and compositions for treating neurological disease SMN1; SMN2, CLN6, INA PREP 3616/4885ALDH1A1 2103/4885CTSK 1041/4885
US-20090286973-A1 LIGAND-CONJUGATED MONOMERS TNFSF11, BCDIN3D, CD40LG PREP 4271/4885ALDH1A1 1125/4885CTSK 4415/4885

“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.