SCHEMBL1001591

SCHEMBL1001591

CC(C)Oc1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCCC(c4nc5ccccc5o4)C3)c2)cc1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.57
LMNA P02545 4/20 0.57
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.47
ALDH1A1 P00352 7/20 0.47
MAPT P10636 6/20 0.47
RECQL P46063 2/20 0.47
ADRB2 P07550 1/20 0.47
MAPK1 P28482 3/20 0.46
GAA P10253 2/20 0.46
TDP1 Q9NUW8 1/20 0.44
KDM4E B2RXH2 1/20 0.44
HPGD P15428 1/20 0.43

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
SCHEMBL1000751 0.84 KMT2A (0.55) SMN1; SMN2LMNAKMT2AMEN1L3MBTL1
SCHEMBL1000673 0.79 KMT2A (0.63) SMN1; SMN2LMNAKMT2AMEN1L3MBTL1
SCHEMBL1001582 0.78 KMT2A (0.80) SMN1; SMN2LMNAKMT2AMEN1L3MBTL1
Trifluoroacetic Acid SCHEMBL1000772 0.76 KMT2A (0.48) SMN1; SMN2LMNAKMT2AMEN1L3MBTL1
SCHEMBL1000747 0.76 KMT2A (0.64) SMN1; SMN2LMNAKMT2AMEN1L3MBTL1
SCHEMBL1001300 0.74 KMT2A (0.62) SMN1; SMN2LMNAKMT2AMEN1L3MBTL1
SCHEMBL1001481 0.74 KMT2A (0.56) SMN1; SMN2LMNAKMT2AMEN1L3MBTL1
SCHEMBL1001743 0.74 KMT2A (0.56) SMN1; SMN2LMNAKMT2AMEN1L3MBTL1
Trifluoroacetic Acid SCHEMBL1000490 0.73 MEN1 (0.51) SMN1; SMN2LMNAKMT2AMEN1L3MBTL1
SCHEMBL1001589 0.72 KMT2A (0.64) SMN1; SMN2LMNAKMT2AMEN1L3MBTL1

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 5 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 claimed
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 SMN1; SMN2 965/4885LMNA 1767/4885KMT2A 473/4885

“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.