SCHEMBL21909284

SCHEMBL21909284

CC[S+]([O-])c1ccc(NC(C)=O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.52
▸ HTT P42858 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ KMT2A Q03164 6/20 0.50
▸ MEN1 O00255 4/20 0.50
▸ ALDH1A1 P00352 4/20 0.50
▸ MAPT P10636 4/20 0.50
▸ CA1 P00915 3/20 0.50
▸ CA2 P00918 3/20 0.50
▸ TDP1 Q9NUW8 2/20 0.50
▸ CA12 O43570 2/20 0.50
▸ CA9 Q16790 2/20 0.50
▸ HPGD P15428 2/20 0.50
▸ LMNA P02545 1/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ BRD4 O60885 1/20 0.50
▸ NR1I2 O75469 1/20 0.50
▸ MB P02144 1/20 0.50
▸ CYP1A1 P04798 1/20 0.50
▸ CA3 P07451 1/20 0.50

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
SCHEMBL14468049 0.86 SMN1; SMN2 (0.52) SMN1; SMN2HTTL3MBTL1KMT2AMEN1
SCHEMBL3818227 0.84 CA1 (0.50) SMN1; SMN2HTTL3MBTL1KMT2AMEN1
SCHEMBL11399811 0.81 ALDH1A1 (0.50) SMN1; SMN2HTTL3MBTL1KMT2AMEN1
SCHEMBL25379946 0.80 SMN1; SMN2 (0.53) SMN1; SMN2HTTL3MBTL1KMT2AMEN1
SCHEMBL11387426 0.79 ALDH1A1 (0.47) SMN1; SMN2HTTL3MBTL1KMT2AMEN1
SCHEMBL6636363 0.78 SMN1; SMN2 (0.55) SMN1; SMN2HTTL3MBTL1KMT2AMEN1
SCHEMBL9478167 0.78 ALDH1A1 (0.46) SMN1; SMN2HTTL3MBTL1KMT2AMEN1
SCHEMBL861674 0.76 SMN1; SMN2 (0.84) SMN1; SMN2HTTL3MBTL1KMT2AMEN1
SCHEMBL18793009 0.75 SMN1; SMN2 (0.52) SMN1; SMN2HTTL3MBTL1KMT2AMEN1
SCHEMBL10922931 0.75 NAPRT (0.62) SMN1; SMN2HTTL3MBTL1KMT2AMEN1

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-10600574-B2 Organic compound, crystal dielectric layer and capacitor CAPACITOR SCIENCES INCORPORATED (US) 2020-03-24 — — 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-10600574-B2 Organic compound, crystal dielectric layer and capacitor PIEZO1, FOXO1, ORAI2 SMN1; SMN2 4883/4885HTT 3603/4885L3MBTL1 1313/4885

“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.

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