SCHEMBL1000459

SCHEMBL1000459

COc1cccnc1NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1

nearest known ligand 0.72

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.68
MEN1 O00255 3/20 0.68
GAA P10253 2/20 0.66
ALDH1A1 P00352 2/20 0.61
HTT P42858 1/20 0.61
ATM Q13315 1/20 0.60
ALB P02768 1/20 0.59
ALPL P05186 1/20 0.59
L3MBTL1 Q9Y468 2/20 0.57
TDP1 Q9NUW8 1/20 0.57
NCOA1 Q15788 1/20 0.57

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
SCHEMBL1000769 0.91 MEN1 (0.65) KMT2AMEN1GAAALDH1A1HTT
SCHEMBL1001588 0.90 MEN1 (0.67) KMT2AMEN1GAAALDH1A1HTT
SCHEMBL1001479 0.83 LMNA (0.49) KMT2AMEN1GAAALDH1A1HTT
SCHEMBL1001275 0.82 TSHR (0.61) KMT2AMEN1GAAALDH1A1HTT
SCHEMBL1000611 0.81 MEN1 (0.51) KMT2AMEN1GAAALDH1A1HTT
SCHEMBL1001413 0.81 MAPK1 (0.48) KMT2AMEN1ALDH1A1HTTL3MBTL1
SCHEMBL1001634 0.81 LMNA (0.51) KMT2AMEN1GAAALDH1A1HTT
SCHEMBL1000551 0.81 LMNA (0.51) KMT2AMEN1ALDH1A1HTTL3MBTL1
SCHEMBL1001317 0.80 KMT2A (0.52) KMT2AMEN1GAAALDH1A1HTT
SCHEMBL1002313 0.79 MEN1 (0.53) KMT2AMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2280001-B1 LONG-CHAIN FATTY ACID ELONGATION ENZYME INHIBITOR COMPRISING ARYLSULFONYL DERIVATIVE AS ACTIVE INGREDIENT MSD KK (JP) 2014-10-15 EP disclosed
US-8420823-B2 Long-chain fatty acyl elongase inhibitor comprising arylsulfonyl derivative as active ingredient MSD K.K. (JP) 2013-04-16 US disclosed
EP-2280001-A1 LONG-CHAIN FATTY ACID ELONGATION ENZYME INHIBITOR COMPRISING ARYLSULFONYL DERIVATIVE AS ACTIVE INGREDIENT Banyu Pharmaceutical Co., Ltd. (JP) 2011-02-02 EP disclosed
US-20110009622-A1 LONG-CHAIN FATTY ACYL ELONGASE INHIBITOR COMPRISING ARYLSULFONYL DERIVATIVE AS ACTIVE INGREDIENT MSD K.K. (JP) 2011-01-13 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-20110009622-A1 LONG-CHAIN FATTY ACYL ELONGASE INHIBITOR COMPRISING ARYLSULFONYL DERIVATIVE AS ACTIVE INGREDIENT ELOVL1, ELOVL6, ELOVL3 KMT2A 473/4885MEN1 4600/4885GAA 607/4885

“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.