SCHEMBL11992532

SCHEMBL11992532

O=C(NCC(=O)N1C[C@@H](CO)[C@@H](O)C1)OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PREP P48147 2/20 0.50
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HTT P42858 1/20 0.43
KDM1A O60341 1/20 0.43
RCOR1 Q9UKL0 1/20 0.43
CTSK P43235 2/20 0.42
GAA P10253 1/20 0.42
CYP3A4 P08684 1/20 0.42
FUCA1 P04066 1/20 0.42
CTSL P07711 1/20 0.42
CTSB P07858 1/20 0.42
CTSS P25774 1/20 0.42
DPP8 Q6V1X1 2/20 0.42
DPP7 Q9UHL4 2/20 0.42
TPSAB1 Q15661 1/20 0.42
TPSD1 Q9BZJ3 1/20 0.42
TPSG1 Q9NRR2 1/20 0.42
DPP4 P27487 1/20 0.41

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
SCHEMBL13032680 1.00 PREP (0.50) PREPALDH1A1LMNASMN1; SMN2HTT
SCHEMBL13032685 0.91 PREP (0.50) PREPALDH1A1LMNASMN1; SMN2HTT
SCHEMBL3426428 0.85 PREP (0.54) PREPLMNASMN1; SMN2HTTGAA
SCHEMBL18069609 0.84 PREP (0.48) PREPALDH1A1LMNASMN1; SMN2HTT
SCHEMBL16187766 0.84 PREP (0.48) PREPALDH1A1LMNASMN1; SMN2HTT
SCHEMBL11992531 0.84 PREP (0.48) PREPALDH1A1LMNASMN1; SMN2HTT
SCHEMBL15293030 0.81 PREP (0.43) PREPALDH1A1LMNASMN1; SMN2HTT
SCHEMBL12258917 0.81 PREP (0.46) PREPALDH1A1LMNASMN1; SMN2HTT
SCHEMBL13032690 0.81 PREP (0.46) PREPALDH1A1LMNASMN1; SMN2HTT
SCHEMBL500535 0.81 SMN1; SMN2 (0.55) SMN1; SMN2HTTCYP3A4MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9914924-B2 Methods and compositions for treating neurological disease UNIVERSITY OF MASSACHUSETTS (US) 2018-03-13 US disclosed
US-9453222-B2 Ligand-conjugated monomers ALNYLAM PHARMACEUTICALS, INC. (US) 2016-09-27 US disclosed
US-20160264968-A1 MODIFIED iRNA AGENTS ALNYLAM PHARMACEUTICALS, INC. 2016-09-15 US disclosed
US-9394540-B2 Modified iRNA agents ALNYLAM PHARMACEUTICALS, INC. (US) 2016-07-19 US disclosed
US-20150232840-A1 METHODS AND COMPOSITIONS FOR TREATING NEUROLOGICAL DISEASE UNIVERSITY OF MASSACHUSETTS 2015-08-20 US disclosed
US-20150191726-A1 LIGAND-CONJUGATED MONOMERS BANK OF AMERICA, N.A. 2015-07-09 US disclosed
US-8957223-B2 Ligand-conjugated monomers ALNYLAM PHARMACEUTICALS, INC. (US) 2015-02-17 US disclosed
US-20140316124-A1 MODIDIFED iRNA AGENTS BANK OF AMERICA, N.A. 2014-10-23 US disclosed
US-8796436-B2 Modified iRNA agents ALNYLAM PHARMACEUTICALS, INC. (US) 2014-08-05 US disclosed
US-20130261166-A1 METHODS AND COMPOSITIONS FOR TREATING NEUROLOGICAL DISEASE ALNYLAM PHARMACEUTICALS, INC. 2013-10-03 US disclosed
US-8017763-B2 Chemically modified oligonucleotides ALNYLAM PHARMACEUTICALS, INC. (US) 2011-09-13 US disclosed
US-20110027882-A1 Methods and Compositions for Treating Neurological Disease UNIVERSITY OF MASSACHUSETTS 2011-02-03 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 (9 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 2364/4885LMNA 3431/4885
US-20070161591-A1 Methods and compositions for treating neurological disease SMN1; SMN2, CLN6, INA PREP 3616/4885ALDH1A1 2103/4885LMNA 34/4885
US-20100292455-A1 MODIFIED iRNA AGENTS NCL, HNRNPA0, HNRNPA1 PREP 4740/4885ALDH1A1 1745/4885LMNA 56/4885
US-20150232840-A1 METHODS AND COMPOSITIONS FOR TREATING NEUROLOGICAL DISEASE SMN1; SMN2, CLN6, INA PREP 3616/4885ALDH1A1 2103/4885LMNA 34/4885
US-20150191726-A1 LIGAND-CONJUGATED MONOMERS TNFSF11, BCDIN3D, CD40LG PREP 4271/4885ALDH1A1 1125/4885LMNA 3599/4885
US-20100267810-A1 METHODS AND COMPOSITIONS FOR TREATING NEUROLOGICAL DISEASE SMN1; SMN2, CLN6, INA PREP 3616/4885ALDH1A1 2103/4885LMNA 34/4885
US-20070105803-A1 Methods and compositions for treating neurological disease SMN1; SMN2, CLN6, INA PREP 3616/4885ALDH1A1 2103/4885LMNA 34/4885
US-20130261166-A1 METHODS AND COMPOSITIONS FOR TREATING NEUROLOGICAL DISEASE SMN1; SMN2, CLN6, INA PREP 3616/4885ALDH1A1 2103/4885LMNA 34/4885
US-20090286973-A1 LIGAND-CONJUGATED MONOMERS TNFSF11, BCDIN3D, CD40LG PREP 4271/4885ALDH1A1 1125/4885LMNA 3599/4885

“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.