SCHEMBL2260080

SCHEMBL2260080

COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C#N)cc1OC

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.74
TP53 P04637 2/20 0.74
LMNA P02545 5/20 0.58
KEAP1 Q14145 1/20 0.57
NFE2L2 Q16236 1/20 0.57
PKM P14618 2/20 0.57
TSHR P16473 2/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2C19 P33261 1/20 0.57
SLC22A12 Q96S37 4/20 0.54
HTT P42858 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
PDE4A P27815 1/20 0.52
PDE4B Q07343 1/20 0.52
PDE4C Q08493 1/20 0.52
PDE4D Q08499 1/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
MAPK1 P28482 2/20 0.52

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
SCHEMBL4651006 0.81 APP (0.57) ALDH1A1TP53LMNAKEAP1NFE2L2
SCHEMBL4650453 0.79 ALDH1A1 (0.56) ALDH1A1TP53LMNATSHRSLC22A12
SCHEMBL4651260 0.79 LMNA (0.53) ALDH1A1TP53LMNATSHRSLC22A12
SCHEMBL165646 0.79 LMNA (0.74) ALDH1A1TP53LMNATSHRHTT
SCHEMBL2962212 0.78 HSD17B2 (0.63) SLC22A12
SCHEMBL2260667 0.76 ALDH1A1 (0.54) ALDH1A1TP53LMNAKEAP1NFE2L2
SCHEMBL6678890 0.76 LMNA (0.67) ALDH1A1TP53LMNAPKMTSHR
SCHEMBL4649590 0.75 SLC22A12 (0.63) SLC22A12
SCHEMBL4862691 0.74 ALDH1A1 (0.65) ALDH1A1TP53LMNAKEAP1NFE2L2
SCHEMBL3256105 0.74 ALDH1A1 (0.65) ALDH1A1TP53LMNAKEAP1NFE2L2

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-8003654-B2 N-glycinsulfonamide derivatives and uses as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2011-08-23 US disclosed
US-20090275588-A1 NOVEL SULFONAMIDE COMPOUNDS ACTELION PHARMACEUTICALS LTD. (CH) 2009-11-05 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-20090275588-A1 NOVEL SULFONAMIDE COMPOUNDS HCRTR2, HCRTR1, NPSR1 ALDH1A1 2824/4885TP53 4868/4885LMNA 4196/4885

“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.