SCHEMBL1002219

SCHEMBL1002219

CC(C)Oc1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCC[C@@H](C(N)=O)C3)c2)nc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.54
KMT2A Q03164 7/20 0.53
MEN1 O00255 6/20 0.53
TSHR P16473 2/20 0.50
LMNA P02545 1/20 0.50
HTT P42858 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 3/20 0.46
USP2 O75604 2/20 0.46
CNR1 P21554 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
MAPK1 P28482 1/20 0.44

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
SCHEMBL1001594 1.00 TDP1 (0.54) TDP1KMT2AMEN1TSHRLMNA
SCHEMBL1002703 1.00 TDP1 (0.54) TDP1KMT2AMEN1TSHRLMNA
SCHEMBL1001193 0.80 L3MBTL1 (0.56) TDP1KMT2AMEN1LMNAL3MBTL1
SCHEMBL1000432 0.78 KMT2A (0.69) TDP1KMT2AMEN1TSHRLMNA
SCHEMBL1000551 0.76 LMNA (0.51) KMT2AMEN1TSHRLMNAHTT
SCHEMBL1001367 0.76 ALDH1A1 (0.58) KMT2AMEN1LMNAKDM4EALDH1A1
SCHEMBL1000673 0.76 KMT2A (0.63) TDP1KMT2AMEN1LMNAHTT
SCHEMBL1003909 0.74 GCK (0.49) TDP1KMT2AMEN1TSHRLMNA
SCHEMBL1001582 0.73 KMT2A (0.80) TDP1KMT2AMEN1LMNAL3MBTL1
SCHEMBL1001546 0.73 TSHR (0.49) TDP1TSHRLMNAHTTL3MBTL1

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 TDP1 2513/4885KMT2A 473/4885MEN1 4600/4885
US-20160024004-A1 NOVEL ANTIVIRAL AGENTS AGAINST HBV INFECTION HAVCR2, EIF2AK2, NR1H4 TDP1 3501/4885KMT2A 3874/4885MEN1 4674/4885

“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.