SCHEMBL1000669

SCHEMBL1000669

COc1cccc(NC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)c1

nearest known ligand 0.82

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.82
KMT2A Q03164 3/20 0.82
HSD17B10 Q99714 1/20 0.82
ALDH1A1 P00352 2/20 0.73
SMN1; SMN2 Q16637 1/20 0.73
NPC1 O15118 1/20 0.72
GAA P10253 1/20 0.72
RAB9A P51151 1/20 0.72
CNR1 P21554 1/20 0.71
SIRT2 Q8IXJ6 1/20 0.71
KDM4E B2RXH2 1/20 0.70
L3MBTL1 Q9Y468 1/20 0.69
MAPT P10636 2/20 0.67

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
SCHEMBL4249871 1.00 MEN1 (0.82) MEN1KMT2AHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL4249355 0.99 KMT2A (0.80) MEN1KMT2AHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL4251076 0.97 KMT2A (0.77) MEN1KMT2AHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL1095479 0.90 KMT2A (1.00) MEN1KMT2AHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL1000409 0.90 KMT2A (1.00) MEN1KMT2AHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL3646036 0.89 KMT2A (0.66) MEN1KMT2AHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL15953291 0.85 TDP1 (0.83) MEN1KMT2AALDH1A1SMN1; SMN2NPC1
SCHEMBL15825756 0.85 L3MBTL1 (0.89) MEN1KMT2AALDH1A1SMN1; SMN2NPC1
SCHEMBL1095203 0.85 ALDH1A1 (1.00) MEN1KMT2AALDH1A1SMN1; SMN2NPC1
SCHEMBL1000557 0.85 ALDH1A1 (1.00) MEN1KMT2AALDH1A1SMN1; SMN2NPC1

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 9 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
US-20090036420-A1 BENZAMIDE DERIVATIVES AND THEIR USE FOR TREATING CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 US disclosed
US-20090036420-A1 BENZAMIDE DERIVATIVES AND THEIR USE FOR TREATING CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 US disclosed
US-20090036420-A1 BENZAMIDE DERIVATIVES AND THEIR USE FOR TREATING CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 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 (2 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 MEN1 4600/4885KMT2A 473/4885HSD17B10 30/4885
US-20090036420-A1 BENZAMIDE DERIVATIVES AND THEIR USE FOR TREATING CNS DISORDERS GABBR1, GABBR2, CHRM2 MEN1 1233/4885KMT2A 632/4885HSD17B10 2536/4885

“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.