SCHEMBL3374237

SCHEMBL3374237

O=C(c1cccc(N(Cc2ccccc2)S(=O)(=O)c2ccc3c(c2)OCO3)c1)N1CCOCC1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.52
PTGES O14684 2/20 0.50
ALOX5 P09917 2/20 0.50
LMNA P02545 3/20 0.48
ALDH1A1 P00352 2/20 0.48
TSHR P16473 1/20 0.48
TAS2R14 Q9NYV8 1/20 0.47
MEP1B Q16820 1/20 0.47
KMT2A Q03164 1/20 0.46
KEAP1 Q14145 1/20 0.46
NFE2L2 Q16236 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HTT P42858 1/20 0.46
RECQL P46063 1/20 0.46
PKLR P30613 1/20 0.46

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
SCHEMBL2213840 0.95 TSHR (0.53) HPGDPTGESALOX5LMNAALDH1A1
SCHEMBL303713 0.90 SLC6A12 (0.46) HPGDPTGESALOX5LMNAALDH1A1
SCHEMBL3436361 0.89 ALDH1A1 (0.42) HPGDPTGESALOX5LMNAALDH1A1
SCHEMBL3377152 0.88 LMNA (0.60) HPGDLMNAALDH1A1TSHRKMT2A
SCHEMBL3377040 0.85 LMNA (0.48) HPGDLMNAALDH1A1TSHRKMT2A
SCHEMBL302059 0.85 LMNA (0.52) HPGDLMNAALDH1A1TSHRKMT2A
SCHEMBL3377105 0.81 ALDH1A1 (0.49) HPGDLMNAALDH1A1TSHRKMT2A
SCHEMBL2189008 0.80 LMNA (0.49) HPGDLMNAALDH1A1TSHRKMT2A
SCHEMBL304306 0.79 LMNA (0.57) HPGDPTGESALOX5LMNAALDH1A1
SCHEMBL303740 0.76 LMNA (0.47) HPGDLMNAALDH1A1TSHRKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2342177-B1 NOVEL POTASSIUM CHANNEL BLOCKERS JAPAN TOBACCO INC (JP) 2017-02-15 EP claimed
US-9073834-B2 Potassium channel blockers XENTION LIMITED (GB) 2015-07-07 US claimed
US-20140221337-A1 Potassium Channel Blockers XENTION LIMITED (GB) 2014-08-07 US claimed
US-20100087428-A1 Novel Potassium Channel Blockers XENTION LIMITED (GB) 2010-04-08 US claimed
EP-2342177-B1 NOVEL POTASSIUM CHANNEL BLOCKERS JAPAN TOBACCO INC (JP) 2017-02-15 EP disclosed
US-9447033-B2 Potassium channel blockers JAPAN TOBACCO INC. (JP) 2016-09-20 US disclosed
US-20150259282-A1 Potassium Channel Blockers XENTION LIMITED (GB) 2015-09-17 US disclosed
US-9073834-B2 Potassium channel blockers XENTION LIMITED (GB) 2015-07-07 US disclosed
US-20140221337-A1 Potassium Channel Blockers XENTION LIMITED (GB) 2014-08-07 US disclosed
US-8673901-B2 Potassium channel blockers XENTION LIMITED (GB) 2014-03-18 US disclosed
US-20100087428-A1 Novel Potassium Channel Blockers XENTION LIMITED (GB) 2010-04-08 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 (3 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-20140221337-A1 Potassium Channel Blockers KCNJ2, KCNH2, KCNB1 HPGD 3708/4885PTGES 2719/4885ALOX5 4260/4885
US-20100087428-A1 Novel Potassium Channel Blockers HCN4, SCN2B, KCNH2 HPGD 3196/4885PTGES 3121/4885ALOX5 1114/4885
US-20150259282-A1 Potassium Channel Blockers KCNJ2, KCNH2, KCNB1 HPGD 3708/4885PTGES 2719/4885ALOX5 4260/4885

“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.