Sugi Predict

Sugi Predict / Compounds / SCHEMBL11992573

SCHEMBL11992573

SCHEMBL11992573

COc1ccc(C(OC[C@@H]2C[C@@H](OP(OCCC#N)N(C(C)C)C(C)C)CN2C(=O)CCN2C(=O)c3ccccc3C2=O)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A11 P48066 5/20 0.34
▸ SLC6A1 P30531 2/20 0.34
▸ MMP2 P08253 2/20 0.33
▸ MMP9 P14780 2/20 0.33
▸ HSD17B10 Q99714 2/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ GAA P10253 1/20 0.32
▸ POLB P06746 1/20 0.31
▸ APEX1 P27695 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ MMP1 P03956 1/20 0.31
▸ MMP3 P08254 1/20 0.31
▸ MMP13 P45452 1/20 0.31
▸ MMP14 P50281 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ TP53 P04637 2/20 0.30
▸ CYP1A2 P05177 1/20 0.30

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
SCHEMBL12209383 0.95 ALDH1A1 (0.34) SLC6A11SLC6A1MMP2MMP9HSD17B10
SCHEMBL11992545 0.95 ALDH1A1 (0.34) SLC6A11SLC6A1MMP2MMP9HSD17B10
SCHEMBL9908649 0.94 SLC6A1 (0.32) SLC6A11SLC6A1MMP2MMP9HSD17B10
SCHEMBL15369129 0.93 SLC6A1 (0.31) SLC6A11SLC6A1MMP2MMP9HSD17B10
SCHEMBL16938709 0.89 SLC6A1 (0.32) SLC6A11SLC6A1ALDH1A1
SCHEMBL16299839 0.88 SLC6A11 (0.35) SLC6A11SLC6A1MEN1KMT2ATP53
SCHEMBL2997021 0.88 SLC6A11 (0.37) SLC6A11SLC6A1MEN1KMT2ATP53
SCHEMBL26302696 0.88 SLC6A11 (0.33) SLC6A11SLC6A1MMP9MEN1KMT2A
SCHEMBL21662396 0.87 SLC6A11 (0.36) SLC6A11SLC6A1MEN1KMT2ATP53
SCHEMBL12899753 0.87 SLC6A11 (0.33) SLC6A11SLC6A1MMP2MMP9HSD17B10

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 SLC6A11 4763/4885SLC6A1 4771/4885MMP2 4294/4885
US-20070161591-A1 Methods and compositions for treating neurological disease SMN1; SMN2, CLN6, INA SLC6A11 1670/4885SLC6A1 1706/4885MMP2 2656/4885
US-20100292455-A1 MODIFIED iRNA AGENTS NCL, HNRNPA0, HNRNPA1 SLC6A11 4827/4885SLC6A1 4831/4885MMP2 3840/4885
US-20150232840-A1 METHODS AND COMPOSITIONS FOR TREATING NEUROLOGICAL DISEASE SMN1; SMN2, CLN6, INA SLC6A11 1670/4885SLC6A1 1706/4885MMP2 2656/4885
US-20150191726-A1 LIGAND-CONJUGATED MONOMERS TNFSF11, BCDIN3D, CD40LG SLC6A11 4728/4885SLC6A1 4597/4885MMP2 3859/4885
US-20100267810-A1 METHODS AND COMPOSITIONS FOR TREATING NEUROLOGICAL DISEASE SMN1; SMN2, CLN6, INA SLC6A11 1670/4885SLC6A1 1706/4885MMP2 2656/4885
US-20070105803-A1 Methods and compositions for treating neurological disease SMN1; SMN2, CLN6, INA SLC6A11 1670/4885SLC6A1 1706/4885MMP2 2656/4885
US-20130261166-A1 METHODS AND COMPOSITIONS FOR TREATING NEUROLOGICAL DISEASE SMN1; SMN2, CLN6, INA SLC6A11 1670/4885SLC6A1 1706/4885MMP2 2656/4885
US-20090286973-A1 LIGAND-CONJUGATED MONOMERS TNFSF11, BCDIN3D, CD40LG SLC6A11 4728/4885SLC6A1 4597/4885MMP2 3859/4885

“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.