SCHEMBL5539779

SCHEMBL5539779

COC(=O)[C@@H](C)CC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA14 Q9ULX7 4/20 0.37
MMP8 P22894 1/20 0.36
CA12 O43570 3/20 0.34
PIK3CD O00329 1/20 0.33
ESRRB O95718 1/20 0.33
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
ZDHHC7 Q9NXF8 1/20 0.31
TSHR P16473 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 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
SCHEMBL17236358 1.00 SMN1; SMN2 (0.39) SMN1; SMN2CA1CA2CA14MMP8
SCHEMBL7955830 0.98 SMN1; SMN2 (0.38) SMN1; SMN2CA1CA2CA14MMP8
SCHEMBL17236363 0.84 PIK3CD (0.41) SMN1; SMN2CA1CA2CA14MMP8
SCHEMBL14459291 0.82 SMN1; SMN2 (0.37) SMN1; SMN2CA1CA2CA14MMP8
SCHEMBL20499832 0.81 MMP8 (0.32) MMP8
SCHEMBL20921735 0.80 MMP8 (0.33) MMP8
SCHEMBL13227918 0.80 CA1 (0.38) SMN1; SMN2CA1CA2CA14MMP8
SCHEMBL28690616 0.80 SMN1; SMN2 (0.35) SMN1; SMN2CA1CA2CA14MMP8
SCHEMBL17278939 0.80 ACACB (0.37) SMN1; SMN2CA1CA2CA14MMP8
SCHEMBL10838592 0.80 MMP8 (0.37) SMN1; SMN2CA1CA2CA14MMP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240229026-A1 CHIRAL CONTROL WAVE LIFE SCIENCES LTD. (SG) 2024-07-11 US disclosed
US-20230295617-A1 METHODS AND COMPOSITIONS OF BIOLOGICALLY ACTIVE AGENTS WAVE LIFE SCIENCES LTD. (SG) 2023-09-21 US disclosed
US-11643657-B2 Chiral control WAVE LIFE SCIENCES LTD. (SG) 2023-05-09 US disclosed
US-20180216108-A1 OLIGONUCLEOTIDE COMPOSITIONS AND METHODS THEREOF WAVE LIFE SCIENCES LTD. (SG) 2018-08-02 US disclosed
US-20180216107-A1 OLIGONUCLEOTIDE COMPOSITIONS AND METHODS THEREOF WAVE LIFE SCIENCES LTD. (SG) 2018-08-02 US disclosed
US-9982257-B2 Chiral control WAVE LIFE SCIENCES LTD. (SG) 2018-05-29 US disclosed
US-9885037-B2 2018-02-06 US disclosed
US-20170275621-A1 CHIRAL CONTROL WAVE LIFE SCIENCES USA, INC. 2017-09-28 US disclosed
US-20170037399-A1 CHIRAL DESIGN WAVE LIFE SCIENCES LTD. (SG) 2017-02-09 US disclosed
US-20150211006-A1 CHIRAL CONTROL WAVE LIFE SCIENCES USA, INC. 2015-07-30 US disclosed
US-20120208813-A1 3-CARBAMOYL-2-PYRIDONE DERIVATIVES SHIONOGI & CO., LTD. 2012-08-16 US disclosed
US-8178681-B2 methyl 3-methyl-2-{[2-oxo-1-(2-oxo-ethyl)-1,2,5,6,7,8,9,10-octahydro-cycloocta[b]pyridine-3-carbonyl]-amino}-butyrate; cannabinoid receptor agonist; antiinflammatory agent, immunostimulant, analgesic; atopic dermatitis; excellent in photostability, and have excellent transdermal and oral absorbency SHIONOGI & CO., LTD. (JP) 2012-05-15 US disclosed
EP-1806342-A1 3-CARBAMOYL-2-PYRIDONE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2007-07-11 EP 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 (7 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-20120208813-A1 3-CARBAMOYL-2-PYRIDONE DERIVATIVES CNR2, CNR1, HRH4 SMN1; SMN2 4550/4885CA1 3604/4885CA2 711/4885
US-20170275621-A1 CHIRAL CONTROL RNGTT, POLI, NSUN3 SMN1; SMN2 695/4885CA1 467/4885CA2 904/4885
US-20240229026-A1 CHIRAL CONTROL RNGTT, POLI, NSUN3 SMN1; SMN2 695/4885CA1 467/4885CA2 904/4885
US-20230295617-A1 METHODS AND COMPOSITIONS OF BIOLOGICALLY ACTIVE AGENTS ELOVL6, ELOVL5, ELOVL1 SMN1; SMN2 457/4885CA1 1307/4885CA2 1573/4885
US-20150211006-A1 CHIRAL CONTROL RNGTT, POLI, NSUN3 SMN1; SMN2 695/4885CA1 467/4885CA2 904/4885
US-11643657-B2 Chiral control RNGTT, POLI, NSUN3 SMN1; SMN2 695/4885CA1 467/4885CA2 904/4885
US-20180216108-A1 OLIGONUCLEOTIDE COMPOSITIONS AND METHODS THEREOF RNGTT, NSUN2, POLRMT SMN1; SMN2 320/4885CA1 327/4885CA2 2251/4885

“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.