SCHEMBL11992528

SCHEMBL11992528

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PREP P48147 2/20 0.42
MAPT P10636 1/20 0.41
ALDH1A1 P00352 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
CTSL P07711 1/20 0.37
CTSB P07858 1/20 0.37
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
PDK1 Q15118 1/20 0.37
PDK2 Q15119 1/20 0.37
PDK3 Q15120 1/20 0.37
PDK4 Q16654 1/20 0.37
ATM Q13315 1/20 0.37
FNTA P49354 1/20 0.37
FNTB P49356 1/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
OPRK1 P41145 1/20 0.36

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
SCHEMBL15293030 0.91 PREP (0.43) PREPMAPTALDH1A1SIGMAR1CTSL
SCHEMBL12258922 0.89 PREP (0.41) PREPMAPTALDH1A1SIGMAR1CTSL
SCHEMBL38664338 0.77 PDE4B (0.44) MAPTALDH1A1CTSKMAPK1SMN1; SMN2
SCHEMBL13032685 0.76 PREP (0.50) PREPMAPTALDH1A1CTSLCTSB
SCHEMBL31045223 0.74 CPB1 (0.49) ALDH1A1ATMSMN1; SMN2
SCHEMBL13032680 0.74 PREP (0.50) PREPALDH1A1CTSLCTSBCTSS
SCHEMBL11992532 0.74 PREP (0.50) PREPALDH1A1CTSLCTSBCTSS
SCHEMBL3868085 0.73 MEN1 (0.43) HTTPDK1PDK2PDK3PDK4
SCHEMBL11992535 0.73 CHRNB2 (0.37)
SCHEMBL11992531 0.72 PREP (0.48) PREPALDH1A1CTSLCTSBCTSS

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 14 patents. 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-20130211063-A1 MODIFIED iRNA AGENTS ALNYLAM PHARMACEUTICALS, INC. (US) 2013-08-15 US disclosed
US-20130184328-A1 LIGAND-CONJUGATED MONOMERS ALNYLAM PHARMACEUTICALS, INC. (US) 2013-07-18 US disclosed
US-20120214861-A1 METHODS AND COMPOSITIONS FOR TREATING NEUROLOGICAL DISEASE UNIVERSITY OF MASSACHUSETTS (US) 2012-08-23 US disclosed
US-20110251257-A1 METHODS AND COMPOSITIONS FOR TREATING NEUROLOGICAL DISEASE ALNYLAM PHARMACEUTICALS, INC. 2011-10-13 US disclosed
US-20110027882-A1 Methods and Compositions for Treating Neurological Disease UNIVERSITY OF MASSACHUSETTS 2011-02-03 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 (5 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-20130184328-A1 LIGAND-CONJUGATED MONOMERS TNFSF11, BCDIN3D, CD40LG PREP 4271/4885MAPT 3562/4885ALDH1A1 1125/4885
US-20110251257-A1 METHODS AND COMPOSITIONS FOR TREATING NEUROLOGICAL DISEASE SMN1; SMN2, CLN6, INA PREP 3616/4885MAPT 38/4885ALDH1A1 2103/4885
US-20120214861-A1 METHODS AND COMPOSITIONS FOR TREATING NEUROLOGICAL DISEASE SMN1; SMN2, CLN6, INA PREP 3616/4885MAPT 38/4885ALDH1A1 2103/4885
US-20150232840-A1 METHODS AND COMPOSITIONS FOR TREATING NEUROLOGICAL DISEASE SMN1; SMN2, CLN6, INA PREP 3616/4885MAPT 38/4885ALDH1A1 2103/4885
US-20150191726-A1 LIGAND-CONJUGATED MONOMERS TNFSF11, BCDIN3D, CD40LG PREP 4271/4885MAPT 3562/4885ALDH1A1 1125/4885

“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.