SCHEMBL4057935

SCHEMBL4057935

O=S(=O)(Cl)C=Cc1cccc(Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 6/20 0.55
CYP1A2 P05177 2/20 0.55
CYP2C9 P11712 1/20 0.55
FBP1 P09467 1/20 0.51
PTGES2 Q9H7Z7 4/20 0.48
MAOB P27338 2/20 0.47
MAOA P21397 1/20 0.47
CHAT P28329 1/20 0.47
CHRM5 P08912 1/20 0.47
RELA Q04206 1/20 0.46
MAPT P10636 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL4057931 1.00 NFE2L2 (0.55) NFE2L2CYP1A2CYP2C9FBP1PTGES2
SCHEMBL4658396 0.85 CYP1A2 (0.59) NFE2L2CYP1A2CYP2C9FBP1PTGES2
SCHEMBL4658400 0.85 CYP1A2 (0.59) NFE2L2CYP1A2CYP2C9FBP1PTGES2
SCHEMBL11534918 0.83 NFE2L2 (0.54) NFE2L2CYP1A2CYP2C9FBP1PTGES2
SCHEMBL11534915 0.83 NFE2L2 (0.54) NFE2L2CYP1A2CYP2C9FBP1PTGES2
SCHEMBL14603114 0.79 ALDH1A1 (0.57) NFE2L2MAOBMAOARELAMAPT
SCHEMBL14861070 0.79 ALDH1A1 (0.57) NFE2L2MAOBMAOARELAMAPT
SCHEMBL29178131 0.79 NFE2L2 (0.61) NFE2L2CYP1A2CYP2C9MAOB
SCHEMBL29178129 0.79 NFE2L2 (0.61) NFE2L2CYP1A2CYP2C9MAOB
SCHEMBL699364 0.79 CHAT (0.67) NFE2L2CYP1A2CYP2C9FBP1MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9730913-B2 High affinity beta lactamase inhibitors THE JOHNS HOPKINS UNIVERSITY (US) 2017-08-15 US disclosed
US-9371307-B2 Serine protease inhibitors THE JOHNS HOPKINS UNIVERSITY (US) 2016-06-21 US disclosed
US-20150080451-A1 SERINE PROTEASE INHIBITORS THE JOHNS HOPKINS UNIVERSITY (US) 2015-03-19 US disclosed
US-20140256778-A1 HIGH AFFINITY BETA LACTAMASE INHIBITORS THE JOHNS HOPKINS UNIVERSITY (US) 2014-09-11 US disclosed
WO-2013056079-A1 HIGH AFFINITY BETA LACTAMASE INHIBITORS THE JOHNS HOPKINS UNIVERSITY (US) 2013-04-18 WO disclosed
WO-2013039985-A2 SERINE PROTEASE INHIBITORS THE JOHNS HOPKINS UNIVERSITY (US) 2013-03-21 WO disclosed
WO-2009120783-A1 HIGH AFFINITY INHIBITORS OF HEPATITIS C VIRUS NS3/4A PROTEASE THE JOHNS HOPKINS UNIVERSITY (US) 2009-10-01 WO disclosed
EP-0650480-B1 1-ARYLSULPHONYL-3-PHENYL-1,4,5,6-TETRAHYDROPYRIDAZINES ORTHO PHARMA CORP (US) 2001-11-21 EP disclosed
US-5684151-A PROGESTIN AGONISTS ORTHO PHARMACEUTICAL CORPORATION (US) 1997-11-04 US disclosed
EP-0650480-A1 1-ARYLSULPHONYL, ARYLCARBONYL AND 1-ARYLPHOSPHONYL-3-PHENYL-1,4,5,6-TETRAHYDROPYRIDAZINES ORTHO PHARMACEUTICAL CORPORATION (US) 1995-05-03 EP disclosed
WO-1994001412-A1 1-ARYLSULPHONYL, ARYLCARBONYL AND 1-ARYLPHOSPHONYL-3-PHENYL-1,4,5,6-TETRAHYDROPYRIDAZINES ORTHO PHARMACEUTICAL CORPORATION (US) 1994-01-20 WO 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-20140256778-A1 HIGH AFFINITY BETA LACTAMASE INHIBITORS ALPI, GUSB, LCT NFE2L2 3722/4885CYP1A2 858/4885CYP2C9 779/4885
US-20150080451-A1 SERINE PROTEASE INHIBITORS PRSS1, SERPINB1, HPN NFE2L2 4765/4885CYP1A2 4318/4885CYP2C9 4443/4885

“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.