SCHEMBL1797104

SCHEMBL1797104

CC[N+]1=C(C)C(C)(CCCS(=O)(=O)O)c2cc(S(=O)(=O)[O-])ccc21.[NaH]

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
THRB P10828 1/20 0.38
HTT P42858 1/20 0.38
RECQL P46063 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL2917375 0.99 LMNA (0.39) LMNATDP1MEN1MAPTTHRB
SCHEMBL1797109 0.99 LMNA (0.39) LMNATDP1MEN1MAPTTHRB
SCHEMBL2064627 0.95 LMNA (0.38) LMNATDP1MEN1MAPTTHRB
SCHEMBL3242091 0.91 LMNA (0.30) LMNATDP1
SCHEMBL12617278 0.91 MEN1 (0.39) LMNATDP1MEN1MAPTTHRB
SCHEMBL13351848 0.91 MEN1 (0.39) LMNATDP1MEN1MAPTTHRB
SCHEMBL1797108 0.90 MEN1 (0.39) LMNATDP1MEN1MAPTTHRB
SCHEMBL3242102 0.90 LMNA (0.31) LMNATDP1
SCHEMBL137086 0.90 LMNA (0.31) LMNATDP1
SCHEMBL1797106 0.88 LMNA (0.39) LMNATDP1MEN1MAPTTHRB

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-7951959-B2 Hydrophilic labels for biomolecules Thermo Fisher Scientific (Milwaukee) LLC (US) 2011-05-31 US disclosed
US-7745640-B2 Hydrophilic labels for biomolecules DYOMICS GMBH (DE) 2010-06-29 US disclosed
EP-2184326-A2 Hydrophilic labels for biomolecules Thermo Fischer (Milwaukee) LLC (US) 2010-05-12 EP disclosed
US-20100069258-A1 Hydrophilic Labels for Biomolecules Thermo Fisher Scientific (Milwaukee) LLC (US) 2010-03-18 US disclosed
US-20070128659-A1 HYDROPHILIC LABELS FOR BIOMOLECULES DYOMICS GMBH (DE) 2007-06-07 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-20100069258-A1 Hydrophilic Labels for Biomolecules HIRA, ALB, SSB LMNA 261/4885TDP1 1224/4885MEN1 2655/4885
US-20070128659-A1 HYDROPHILIC LABELS FOR BIOMOLECULES DDB1, ALB, HIRA LMNA 150/4885TDP1 1325/4885MEN1 2710/4885

“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.