SCHEMBL4909284

SCHEMBL4909284

CC(C)SSc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
HSD17B10 Q99714 2/20 0.47
ACHE P22303 1/20 0.47
ALDH1A1 P00352 7/20 0.42
RECQL P46063 1/20 0.42
MAPK1 P28482 4/20 0.41
TDP1 Q9NUW8 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LMNA P02545 2/20 0.40
GAA P10253 1/20 0.40
PKM P14618 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
NR3C1 P04150 1/20 0.40
PGR P06401 1/20 0.40
HSP90AA1 P07900 1/20 0.40

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
SCHEMBL18690324 0.85 MAPT (0.44) MAPTMEN1KMT2AHSD17B10ACHE
SCHEMBL14113989 0.82 MAPT (0.46) MAPTMEN1KMT2AHSD17B10ACHE
SCHEMBL18700381 0.81 TSHR (0.42) MAPTMEN1KMT2AHSD17B10ACHE
SCHEMBL223594 0.81 MEN1 (0.59) MAPTMEN1KMT2AHSD17B10ACHE
SCHEMBL3931538 0.80 MAPT (0.50) MAPTMEN1KMT2AHSD17B10ACHE
SCHEMBL4910155 0.79 HSP90AA1 (0.71) MEN1KMT2AACHEALDH1A1TDP1
SCHEMBL4908007 0.78 HSD17B10 (0.52) MAPTMEN1KMT2AHSD17B10ACHE
SCHEMBL5026213 0.76 ACHE (0.75) MAPTMEN1KMT2AHSD17B10ACHE
SCHEMBL8531165 0.76 ACHE (0.75) MAPTMEN1KMT2AHSD17B10ACHE
SCHEMBL943255 0.75 MAPT (0.53) MAPTMEN1KMT2AHSD17B10ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9949480-B2 N-alkylthio beta-lactams, alkyl-coenzyme A asymmetric disulfides, and aryl-alkyl disulfides as anti-bacterial agents UNIVERSITY OF SOUTH FLORIDA (US) 2018-04-24 US disclosed
US-20150327547-A1 N-ALKYLTHIO BETA-LACTAMS, ALKYL-COENZYME A ASYMMETRIC DISULFIDES, AND ARYL-ALKYL DISULFIDES AS ANTI-BACTERIAL AGENTS UNIVERSITY OF SOUTH FLORIDA (US) 2015-11-19 US disclosed
US-20150327547-A1 N-ALKYLTHIO BETA-LACTAMS, ALKYL-COENZYME A ASYMMETRIC DISULFIDES, AND ARYL-ALKYL DISULFIDES AS ANTI-BACTERIAL AGENTS UNIVERSITY OF SOUTH FLORIDA (US) 2015-11-19 US disclosed
US-9096635-B2 N-alkylthio beta-lactams, alkyl-coenzyme A asymmetric disulfides, and aryl-alkyl disulfides as anti-bacterial agents UNIVERSITY OF SOUTH FLORIDA (US) 2015-08-04 US disclosed
US-9096635-B2 N-alkylthio beta-lactams, alkyl-coenzyme A asymmetric disulfides, and aryl-alkyl disulfides as anti-bacterial agents UNIVERSITY OF SOUTH FLORIDA (US) 2015-08-04 US disclosed
US-9096635-B2 N-alkylthio beta-lactams, alkyl-coenzyme A asymmetric disulfides, and aryl-alkyl disulfides as anti-bacterial agents UNIVERSITY OF SOUTH FLORIDA (US) 2015-08-04 US disclosed
US-20140235565-A1 N-ALKYLTHIO BETA-LACTAMS, ALKYL-COENZYME A ASYMMETRIC DISULFIDES, AND ARYL-ALKYL DISULFIDES AS ANTI-BACTERIAL AGENTS UNIVERSITY OF SOUTH FLORIDA (US) 2014-08-21 US disclosed
US-20140235565-A1 N-ALKYLTHIO BETA-LACTAMS, ALKYL-COENZYME A ASYMMETRIC DISULFIDES, AND ARYL-ALKYL DISULFIDES AS ANTI-BACTERIAL AGENTS UNIVERSITY OF SOUTH FLORIDA (US) 2014-08-21 US disclosed
US-20140235565-A1 N-ALKYLTHIO BETA-LACTAMS, ALKYL-COENZYME A ASYMMETRIC DISULFIDES, AND ARYL-ALKYL DISULFIDES AS ANTI-BACTERIAL AGENTS UNIVERSITY OF SOUTH FLORIDA (US) 2014-08-21 US disclosed
US-8722937-B2 Asymmetric disulfides and aryl-alkyl disulfides as anti-bacterial agents UNIVERSITY OF SOUTH FLORIDA (US) 2014-05-13 US disclosed
US-8722937-B2 Asymmetric disulfides and aryl-alkyl disulfides as anti-bacterial agents UNIVERSITY OF SOUTH FLORIDA (US) 2014-05-13 US disclosed
US-20100021480-A1 BIOACTIVE SUBSTANCE-BLOOD PROTEIN CONJUGATE AND STABILIZATION OF A BIOACTIVE SUBSTANCE USING THE SAME PEPTRON CO., LTD (KR) 2010-01-28 US disclosed
US-20080182815-A1 Act against several infective agents, and most notably Bacillus spp. and Staphylococcus spp., including infection caused by methicillin-resistant Staphylococcus aureus (MRSA) UNIVERSITY OF SOUTH FLORIDA 2008-07-31 US disclosed
US-20080182815-A1 Act against several infective agents, and most notably Bacillus spp. and Staphylococcus spp., including infection caused by methicillin-resistant Staphylococcus aureus (MRSA) UNIVERSITY OF SOUTH FLORIDA 2008-07-31 US disclosed
US-20080182815-A1 Act against several infective agents, and most notably Bacillus spp. and Staphylococcus spp., including infection caused by methicillin-resistant Staphylococcus aureus (MRSA) UNIVERSITY OF SOUTH FLORIDA 2008-07-31 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 (4 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-20080182815-A1 Act against several infective agents, and most notably Bacillus spp. and Staphylococcus spp., including infection caused by methicillin-resistant Staphylococcus aureus (MRSA) SQOR, TST, COASY MAPT 3880/4885MEN1 4682/4885KMT2A 2162/4885
US-20100021480-A1 BIOACTIVE SUBSTANCE-BLOOD PROTEIN CONJUGATE AND STABILIZATION OF A BIOACTIVE SUBSTANCE USING THE SAME SERPINA6, CSTB, PLG MAPT 3724/4885MEN1 2047/4885KMT2A 3802/4885
US-20150327547-A1 N-ALKYLTHIO BETA-LACTAMS, ALKYL-COENZYME A ASYMMETRIC DISULFIDES, AND ARYL-ALKYL DISULFIDES AS ANTI-BACTERIAL AGENTS COASY, SQOR, TST MAPT 3860/4885MEN1 4526/4885KMT2A 2262/4885
US-20140235565-A1 N-ALKYLTHIO BETA-LACTAMS, ALKYL-COENZYME A ASYMMETRIC DISULFIDES, AND ARYL-ALKYL DISULFIDES AS ANTI-BACTERIAL AGENTS COASY, SQOR, TST MAPT 3860/4885MEN1 4526/4885KMT2A 2262/4885

“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.