SCHEMBL29808482

SCHEMBL29808482

O=S(=O)([O-])CCC[N+]1(CCCO)CCNCC1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.35
GMNN O75496 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
THPO P40225 1/20 0.31
HBB P68871 1/20 0.31
PMP22 Q01453 1/20 0.31

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
SCHEMBL3233659 0.78 APP (0.32)
SCHEMBL30361758 0.73 SMN1; SMN2 (0.39) SMN1; SMN2GMNNALDH1A1LMNATP53
SCHEMBL28491524 0.71 TP53 (0.48) SMN1; SMN2GMNNALDH1A1LMNATP53
SCHEMBL28760816 0.71
SCHEMBL1486205 0.70
SCHEMBL25674276 0.69 SMN1; SMN2 (0.39) SMN1; SMN2GMNNALDH1A1LMNATP53
SCHEMBL19564446 0.67 SMN1; SMN2 (0.47) SMN1; SMN2GMNNALDH1A1LMNATP53
SCHEMBL18319467 0.67 EPHX2 (0.38) SMN1; SMN2GMNNALDH1A1LMNATP53
SCHEMBL3424157 0.66 ALDH1A1 (0.55) SMN1; SMN2GMNNALDH1A1LMNATP53
SCHEMBL29947797 0.66 TP53 (0.48) SMN1; SMN2GMNNALDH1A1LMNATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230001024-A1 CROSS-LINKING COMPOUNDS AND METHODS OF USE THEREOF NORTH CAROLINA STATE UNIVERSITY 2023-01-05 US disclosed
EP-4054561-A1 CROSS-LINKING COMPOUNDS AND METHODS OF USE THEREOF North Carolina State University (US) 2022-09-14 EP disclosed
US-20220275111-A1 CROSS-LINKING COMPOUNDS AND METHODS OF USE THEREOF NORTH CAROLINA STATE UNIVERSITY 2022-09-01 US disclosed
US-20220267479-A1 POLYIODIDE BINDING COMPOUNDS AND METHODS OF USE THEREOF NORTH CAROLINA STATE UNIVERSITY 2022-08-25 US disclosed
EP-4003363-A1 CROSS-LINKING COMPOUNDS AND METHODS OF USE THEREOF North Carolina State University (US) 2022-06-01 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 (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-20220267479-A1 POLYIODIDE BINDING COMPOUNDS AND METHODS OF USE THEREOF SHBG, PCNA, INHA SMN1; SMN2 4707/4885GMNN 1249/4885ALDH1A1 3461/4885
US-20230001024-A1 CROSS-LINKING COMPOUNDS AND METHODS OF USE THEREOF AOX1, MTCL3, COL1A1 SMN1; SMN2 2650/4885GMNN 2264/4885ALDH1A1 74/4885

“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.