SCHEMBL2548396

SCHEMBL2548396

C#CCCC[C@@H](N)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSR P00390 2/20 0.54
ARG2 P78540 4/20 0.48
ARG1 P05089 3/20 0.48
GRIK1 P39086 3/20 0.47
GRIK2 Q13002 3/20 0.47
CYP1A2 P05177 3/20 0.47
CYP2C19 P33261 3/20 0.47
NOS2 P35228 2/20 0.47
GLA P06280 1/20 0.47
TSHR P16473 1/20 0.47
NFKB1 P19838 1/20 0.47
APEX1 P27695 1/20 0.47
GRM8 O00222 1/20 0.46
GRM6 O15303 1/20 0.46
GRIN2D O15399 1/20 0.46
GRIN3B O60391 1/20 0.46
GRM5 P41594 1/20 0.46
GRIA1 P42261 1/20 0.46
GRIA2 P42262 1/20 0.46
GRIA3 P42263 1/20 0.46

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
SCHEMBL600685 1.00 GSR (0.54) GSRARG2ARG1GRIK1GRIK2
SCHEMBL600686 1.00 GSR (0.54) GSRARG2ARG1GRIK1GRIK2
SCHEMBL2548695 0.94 GSR (0.57) GSRARG2ARG1GRIK1GRIK2
SCHEMBL2546200 0.94 GSR (0.57) GSRARG2ARG1GRIK1GRIK2
SCHEMBL2546202 0.94 GSR (0.57) GSRARG2ARG1GRIK1GRIK2
SCHEMBL2547202 0.92 GSR (0.55) GSRARG2ARG1GRIK1GRIK2
SCHEMBL2549431 0.92 GSR (0.55) GSRARG2ARG1GRIK1GRIK2
SCHEMBL2547204 0.92 GSR (0.55) GSRARG2ARG1GRIK1GRIK2
SCHEMBL2548392 0.86
SCHEMBL2550385 0.86

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8637686-B2 Triazole macrocycle systems AILERON THERAPEUTICS, INC. (US) 2014-01-28 US claimed
US-20110263815-A1 TRIAZOLE MACROCYCLE SYSTEMS AILERON THERAPEUTICS, INC., A DELAWARE CORPORATION (US) 2011-10-27 US claimed
US-11565240-B2 Mixed mode affinity chromatography carrier FUJIFILM CORPORATION (JP) 2023-01-31 US disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 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 (2 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-20110263815-A1 TRIAZOLE MACROCYCLE SYSTEMS FLT3, VIP, NGLY1 GSR 3683/4885ARG2 219/4885ARG1 108/4885
US-11565240-B2 Mixed mode affinity chromatography carrier FCGR2A, FCGR3B, FCGR1A GSR 4816/4885ARG2 2933/4885ARG1 1350/4885

“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.