SCHEMBL1002260

SCHEMBL1002260

CC(=O)c1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)cc1

nearest known ligand 0.85

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.85
NPC1 O15118 2/20 0.81
ALDH1A1 P00352 5/20 0.78
SMN1; SMN2 Q16637 3/20 0.78
MEN1 O00255 4/20 0.76
KMT2A Q03164 4/20 0.76
TDP1 Q9NUW8 1/20 0.76
GAA P10253 2/20 0.74
LMNA P02545 1/20 0.74
MAPK1 P28482 1/20 0.74
TSHR P16473 2/20 0.74
USP2 O75604 1/20 0.74
HTT P42858 1/20 0.73
RAB9A P51151 1/20 0.70
KDM4E B2RXH2 1/20 0.70
MAPT P10636 1/20 0.70
RXFP1 Q9HBX9 1/20 0.69
CNR1 P21554 1/20 0.69
SIRT2 Q8IXJ6 1/20 0.69

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
SCHEMBL1001675 0.89 L3MBTL1 (0.83) L3MBTL1NPC1ALDH1A1SMN1; SMN2MEN1
SCHEMBL7821199 0.89 SMN1; SMN2 (0.84) L3MBTL1NPC1ALDH1A1SMN1; SMN2MEN1
SCHEMBL13532194 0.89 KMT2A (0.85) L3MBTL1NPC1ALDH1A1SMN1; SMN2MEN1
SCHEMBL28912823 0.88 ALDH1A1 (0.82) L3MBTL1NPC1ALDH1A1SMN1; SMN2MEN1
SCHEMBL1119369 0.88 ALDH1A1 (0.82) L3MBTL1NPC1ALDH1A1SMN1; SMN2MEN1
SCHEMBL1000557 0.88 ALDH1A1 (1.00) L3MBTL1NPC1ALDH1A1SMN1; SMN2MEN1
SCHEMBL1095203 0.88 ALDH1A1 (1.00) L3MBTL1NPC1ALDH1A1SMN1; SMN2MEN1
SCHEMBL13532150 0.87 SIRT2 (0.81) L3MBTL1NPC1ALDH1A1SMN1; SMN2MEN1
SCHEMBL15076668 0.87 SMN1; SMN2 (0.80) L3MBTL1NPC1ALDH1A1SMN1; SMN2MEN1
SCHEMBL1002168 0.87 SMN1; SMN2 (0.80) L3MBTL1NPC1ALDH1A1SMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104352492-B Extend enzyme inhibitor using arylsulfonyl derivatives as the long chain fatty acids of active ingredient MSD K.K.公司 2017-12-05 CN disclosed
CN-104352492-A Long-chain fatty acyl elongase inhibitor comprising arylsulfonyl derivative as active ingredient MSD KK 2015-02-18 CN disclosed
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 L3MBTL1 511/4885NPC1 899/4885ALDH1A1 188/4885

“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.