SCHEMBL22639673

SCHEMBL22639673

O=S(=O)(NC[C@@H]1CCCO1)c1ccc2ccccc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 1.00
HTT P42858 2/20 0.68
KMT2A Q03164 2/20 0.68
MEN1 O00255 1/20 0.68
ALDH1A1 P00352 9/20 0.67
SMN1; SMN2 Q16637 4/20 0.67
NR2F2 P24468 1/20 0.67
RAB9A P51151 1/20 0.67
CXCR4 P61073 1/20 0.67
TSHR P16473 2/20 0.62
SLC12A2 P55011 1/20 0.60
SLC12A5 Q9H2X9 1/20 0.60
HPGD P15428 1/20 0.60
MAPK1 P28482 1/20 0.60
PKM P14618 1/20 0.60
NPSR1 Q6W5P4 1/20 0.58

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
SCHEMBL22639799 1.00 LMNA (1.00) LMNAHTTKMT2AMEN1ALDH1A1
SCHEMBL4077665 0.84 ALDH1A1 (0.78) LMNAHTTKMT2AMEN1ALDH1A1
SCHEMBL12933266 0.81 LMNA (0.69) LMNAHTTKMT2AMEN1ALDH1A1
SCHEMBL1874466 0.80 LMNA (0.72) LMNAHTTKMT2AMEN1ALDH1A1
SCHEMBL23052424 0.79 NPY5R (0.69) LMNAKMT2AALDH1A1SMN1; SMN2
SCHEMBL1423782 0.79 ALDH1A1 (0.79) LMNAHTTKMT2AMEN1ALDH1A1
SCHEMBL4763389 0.79 ALDH1A1 (0.79) LMNAHTTKMT2AMEN1ALDH1A1
SCHEMBL19264910 0.79 SLC12A2 (0.92) LMNAHTTKMT2AMEN1ALDH1A1
SCHEMBL3079952 0.79 ALDH1A1 (0.79) LMNAHTTKMT2AMEN1ALDH1A1
SCHEMBL13297977 0.79 SLC12A2 (0.92) LMNAHTTKMT2AMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10828281-B2 Non-hydrophobic compounds for use in treating metastasis and/or cartilage defect Friedrich-Alexander-Universität Erlangen-Nürnberg (DE) 2020-11-10 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-10828281-B2 Non-hydrophobic compounds for use in treating metastasis and/or cartilage defect VIM, MATR3, TP53 LMNA 769/4885HTT 488/4885KMT2A 4613/4885

“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.