SCHEMBL1002080

SCHEMBL1002080

CC(C)Oc1ccc(NC(=O)c2cccc(S(=O)(=O)NC(C3CC3)C3CC3)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 1/20 0.53
HDAC8 Q9BY41 3/20 0.49
HDAC6 Q9UBN7 3/20 0.49
HTT P42858 1/20 0.49
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
KAT6A Q92794 1/20 0.48
ADORA3 P0DMS8 1/20 0.48
SLC6A3 Q01959 1/20 0.48
KDM4E B2RXH2 1/20 0.47
HSD17B10 Q99714 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MMP9 P14780 2/20 0.47
MMP2 P08253 1/20 0.47
LMNA P02545 3/20 0.47
ALDH1A1 P00352 2/20 0.46
TP53 P04637 1/20 0.46
MAPK1 P28482 1/20 0.46
USP36 Q9P275 1/20 0.46
GAA P10253 1/20 0.45

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
SCHEMBL1002452 0.81 KMT2A (0.53) HTR2BHTTMEN1KMT2AKAT6A
SCHEMBL1001981 0.81 SMN1; SMN2 (0.54) HTR2BHTTMEN1KMT2AKAT6A
SCHEMBL1000747 0.78 KMT2A (0.64) HTTMEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL1001743 0.77 KMT2A (0.56) HTTMEN1KMT2AHSD17B10SMN1; SMN2
SCHEMBL1001481 0.77 KMT2A (0.56) HTTMEN1KMT2AHSD17B10SMN1; SMN2
SCHEMBL999626 0.77 ELOVL6 (0.59) HTTMEN1KMT2ALMNAMAPK1
SCHEMBL1001582 0.77 KMT2A (0.80) MEN1KMT2AKDM4ESMN1; SMN2LMNA
SCHEMBL1002121 0.76 ALDH1A1 (0.54) HTTMEN1KMT2AKAT6AKDM4E
SCHEMBL1001242 0.75 ELOVL6 (0.61) HTTMEN1KMT2A
SCHEMBL1001301 0.74 NAMPT (0.60) MEN1KMT2ASMN1; SMN2LMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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
EP-2938338-A2 NOVEL ANTIVIRAL AGENTS AGAINST HBV INFECTION Drexel University (US) 2015-11-04 EP 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 HTR2B 2774/4885HDAC8 257/4885HDAC6 283/4885
US-20160024004-A1 NOVEL ANTIVIRAL AGENTS AGAINST HBV INFECTION HAVCR2, EIF2AK2, NR1H4 HTR2B 3280/4885HDAC8 4021/4885HDAC6 3813/4885

“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.