SCHEMBL1002204

SCHEMBL1002204

COc1ccc(NC(=O)c2cccc(S(=O)(=O)NC(C)(C)C)c2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.61
KMT2A Q03164 5/20 0.61
ALDH1A1 P00352 4/20 0.60
MAPT P10636 4/20 0.60
GAA P10253 1/20 0.60
RECQL P46063 1/20 0.60
NPC1 O15118 5/20 0.57
RAB9A P51151 5/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
SIRT2 Q8IXJ6 2/20 0.56
TP53 P04637 2/20 0.55
KDM4E B2RXH2 1/20 0.53
TSHR P16473 1/20 0.53
NFKB1 P19838 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53
CASP3 P42574 1/20 0.53
SENP7 Q9BQF6 1/20 0.53
ADORA3 P0DMS8 1/20 0.53

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
SCHEMBL15612976 0.85 MEN1 (0.61) MEN1KMT2AALDH1A1MAPTNPC1
SCHEMBL13532171 0.83 MEN1 (0.77) MEN1KMT2AALDH1A1MAPTGAA
SCHEMBL1001379 0.83 MEN1 (0.66) MEN1KMT2AALDH1A1MAPTGAA
SCHEMBL13532178 0.82 KMT2A (0.69) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL15705229 0.82 KMT2A (0.69) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL1000538 0.81 MEN1 (0.68) MEN1KMT2AALDH1A1MAPTNPC1
SCHEMBL30926445 0.81 MEN1 (0.82) MEN1KMT2AALDH1A1MAPTRAB9A
SCHEMBL30926720 0.81 MEN1 (0.67) MEN1KMT2AALDH1A1MAPTGAA
SCHEMBL13532193 0.81 MEN1 (0.74) MEN1KMT2AALDH1A1RAB9ASMN1; SMN2
SCHEMBL27181006 0.81 MEN1 (0.67) MEN1KMT2AALDH1A1MAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113321632-A Sulfamoyl-arylamides and their use as medicaments for the treatment of hepatitis B 爱尔兰詹森科学公司 2021-08-31 CN claimed
WO-2020255013-A1 COMBINATION OF HEPATITIS B VIRUS (HBV) VACCINES AND CAPSID ASSEMBLY MODULATORS BEING AMIDE DERIVATIVES Janssen Sciences Ireland Unlimited Company (IE) 2020-12-24 WO claimed
US-20160024004-A1 NOVEL ANTIVIRAL AGENTS AGAINST HBV INFECTION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-01-28 US claimed
CN-105209031-A Novel antiviral agents against HBV infection UNIV DREXEL 2015-12-30 CN claimed
EP-2938338-A2 NOVEL ANTIVIRAL AGENTS AGAINST HBV INFECTION Drexel University (US) 2015-11-04 EP claimed
WO-2014106019-A2 NOVEL ANTIVIRAL AGENTS AGAINST HBV INFECTION PHILADELPHIA HEALTH & EDUCATION CORPORATION, D/B/A DREXEL (US) 2014-07-03 WO claimed
WO-2020255013-A1 COMBINATION OF HEPATITIS B VIRUS (HBV) VACCINES AND CAPSID ASSEMBLY MODULATORS BEING AMIDE DERIVATIVES Janssen Sciences Ireland Unlimited Company (IE) 2020-12-24 WO disclosed
US-9938236-B2 Antiviral agents against HBV infection DREXEL UNIVERSITY (US) 2018-04-10 US disclosed
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
US-20160024004-A1 NOVEL ANTIVIRAL AGENTS AGAINST HBV INFECTION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-01-28 US disclosed
CN-105209031-A Novel antiviral agents against HBV infection UNIV DREXEL 2015-12-30 CN disclosed
EP-2938338-A2 NOVEL ANTIVIRAL AGENTS AGAINST HBV INFECTION Drexel University (US) 2015-11-04 EP 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
WO-2014106019-A2 NOVEL ANTIVIRAL AGENTS AGAINST HBV INFECTION PHILADELPHIA HEALTH & EDUCATION CORPORATION, D/B/A DREXEL (US) 2014-07-03 WO 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 (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 473/4885ALDH1A1 188/4885
US-20160024004-A1 NOVEL ANTIVIRAL AGENTS AGAINST HBV INFECTION HAVCR2, EIF2AK2, NR1H4 MEN1 4674/4885KMT2A 3874/4885ALDH1A1 2569/4885

“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.