SCHEMBL658335

SCHEMBL658335

COc1ccc(S(=O)(=O)NNC(=O)C2=CN(CC(=O)c3cccs3)C=CC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.61
GAA P10253 7/20 0.61
SMN1; SMN2 Q16637 1/20 0.46
GFER P55789 1/20 0.44
HTT P42858 2/20 0.42
LMNA P02545 2/20 0.42
PKM P14618 1/20 0.41
MAPT P10636 4/20 0.41
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2B Q13224 1/20 0.41
KAT6A Q92794 1/20 0.39
POLB P06746 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HPGD P15428 1/20 0.39
TUBB4A P04350 1/20 0.39
TUBB P07437 1/20 0.39
TUBA3C P0DPH7 1/20 0.39

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
SCHEMBL287088 0.90 GAA (0.46) ALDH1A1GAASMN1; SMN2GFERHTT
SCHEMBL660129 0.89 GAA (0.46) ALDH1A1GAALMNAPKMMAPT
SCHEMBL286776 0.88 ALDH1A1 (0.44) ALDH1A1GAASMN1; SMN2HTTLMNA
SCHEMBL660141 0.85 HTT (0.53) ALDH1A1GAASMN1; SMN2GFERHTT
SCHEMBL287773 0.84 ALDH1A1 (0.39) ALDH1A1GAASMN1; SMN2HTTLMNA
SCHEMBL287138 0.83 GFER (0.52) ALDH1A1GAAGFERHTTLMNA
SCHEMBL661687 0.82 ERCC5 (0.43) ALDH1A1GAAHTTLMNAMAPT
SCHEMBL662303 0.82 ALDH1A1 (0.38) ALDH1A1GAASMN1; SMN2HTTLMNA
SCHEMBL7799733 0.80 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2HTTLMNAMAPT
SCHEMBL660109 0.80 CTNNB1 (0.36) ALDH1A1GAASMN1; SMN2HTTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120046317-A1 NOVEL HETEROCYCLIC COMPOUNDS DUTT CHAITANYA (IN) 2012-02-23 US claimed
US-20120046317-A1 NOVEL HETEROCYCLIC COMPOUNDS DUTT CHAITANYA (IN) 2012-02-23 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-20120046317-A1 NOVEL HETEROCYCLIC COMPOUNDS AGER, REN, AGT ALDH1A1 676/4885GAA 194/4885SMN1; SMN2 640/4885

“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.