SCHEMBL1661419

SCHEMBL1661419

C#CCOC(=O)CC[C@H](N)C(=O)OCC#C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.38
MAPT P10636 2/20 0.37
CYP2D6 P10635 1/20 0.37
NFKB1 P19838 1/20 0.37
LMNA P02545 1/20 0.37
SLC1A1 P43005 3/20 0.37
SLC1A3 P43003 2/20 0.37
SLC1A2 P43004 2/20 0.37
ALDH1A1 P00352 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
NPC1 O15118 1/20 0.34
TSHR P16473 2/20 0.33
EPHX2 P34913 1/20 0.33
GRIK1 P39086 3/20 0.32
GRIK2 Q13002 3/20 0.32
GRM8 O00222 1/20 0.32
GRM6 O15303 1/20 0.32
GRIN2D O15399 1/20 0.32
GRIN3B O60391 1/20 0.32

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
SCHEMBL15509381 1.00 GSTP1 (0.41) GSTP1L3MBTL1MAPTCYP2D6NFKB1
SCHEMBL1661418 0.87 SLC1A1 (0.48) GSTP1L3MBTL1MAPTCYP2D6NFKB1
SCHEMBL3289233 0.87 SLC1A1 (0.48) GSTP1L3MBTL1MAPTCYP2D6NFKB1
SCHEMBL28063444 0.86 GSTP1 (0.38) GSTP1L3MBTL1MAPTCYP2D6NFKB1
SCHEMBL29206591 0.85 CYP2D6 (0.55) MAPTCYP2D6NFKB1LMNASLC1A1
SCHEMBL29206598 0.85 CYP2D6 (0.55) MAPTCYP2D6NFKB1LMNASLC1A1
SCHEMBL21590074 0.79 SLC1A3 (0.38) MAPTCYP2D6NFKB1LMNASLC1A1
SCHEMBL21590082 0.79 SLC1A3 (0.38) MAPTCYP2D6NFKB1LMNASLC1A1
SCHEMBL10011969 0.78 GSTP1 (0.41) GSTP1L3MBTL1MAPTCYP2D6NFKB1
SCHEMBL13314437 0.78 GSR (0.42) GSTP1SLC1A1SLC1A3SLC1A2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118001458-A In-situ electrical stimulation nerve conduit based on polyamino acid electrode material 中国科学院长春应用化学研究所 2024-05-10 CN disclosed
EP-2704246-B1 NON-AQUEOUS ELECTROLYTIC SOLUTION, ELECTRICAL STORAGE DEVICE UTILIZING SAME, AND CYCLIC SULFONIC ACID ESTER COMPOUND UBE INDUSTRIES (JP) 2017-08-23 EP disclosed
US-9608287-B2 Non-aqueous electrolytic solution, electrical storage device utilizing same, and cyclic sulfonic acid ester compound UBE INDUSTRIES, LTD. (JP) 2017-03-28 US disclosed
EP-2704246-A1 NON-AQUEOUS ELECTROLYTIC SOLUTION, ELECTRICAL STORAGE DEVICE UTILIZING SAME, AND CYCLIC SULFONIC ACID ESTER COMPOUND Ube Industries, Ltd. (JP) 2014-03-05 EP disclosed
EP-2493868-A2 POLY(PROPARGYL-L-GLUTAMATE) AND DERIVATIVES THEREOF Massachusetts Institute Of Technology (US) 2012-09-05 EP disclosed
US-8222359-B2 Poly(propargyl-L-glutamate) and derivatives thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2012-07-17 US disclosed
WO-2011056645-A2 POLY(PROPARGYL-L-GLUTAMATE) AND DERIVATIVES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2011-05-12 WO disclosed
US-20110097419-A1 Poly(Propargyl-L-Glutamate) and Derivatives Thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2011-04-28 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 (1 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-20110097419-A1 Poly(Propargyl-L-Glutamate) and Derivatives Thereof GLUL, QPCTL, QPCT GSTP1 1608/4885L3MBTL1 2871/4885MAPT 2232/4885

“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.