SCHEMBL4910155

SCHEMBL4910155

CC(C)SSc1cccc([N+](=O)[O-])c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.71
TSHR P16473 6/20 0.52
LMNA P02545 1/20 0.52
ACHE P22303 1/20 0.49
ALDH1A1 P00352 5/20 0.44
TDP1 Q9NUW8 1/20 0.44
ALOX15 P16050 1/20 0.44
KMT2A Q03164 2/20 0.42
GAA P10253 1/20 0.42
HTT P42858 1/20 0.42
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
TP53 P04637 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 1/20 0.40
HPGD P15428 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NFE2L2 Q16236 1/20 0.40
CA2 P00918 1/20 0.40
CA5A P35218 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
SCHEMBL4909876 0.84 HSP90AA1 (0.63) HSP90AA1TSHRLMNAACHEALDH1A1
SCHEMBL31482901 0.84 HSP90AA1 (1.00) HSP90AA1TSHRLMNAACHEALDH1A1
SCHEMBL288227 0.84 HSP90AA1 (1.00) HSP90AA1TSHRLMNAACHEALDH1A1
SCHEMBL30468119 0.84 HSP90AA1 (1.00) HSP90AA1TSHRLMNAACHEALDH1A1
SCHEMBL8669001 0.83 HSP90AA1 (0.65) HSP90AA1TSHRLMNAACHEALDH1A1
SCHEMBL4909394 0.81 HSP90AA1 (0.79) HSP90AA1TSHRLMNAACHEALDH1A1
SCHEMBL4909284 0.79 MAPT (0.47) HSP90AA1TSHRLMNAACHEALDH1A1
SCHEMBL1145909 0.77 HSP90AA1 (0.71) HSP90AA1TSHRLMNAACHEALDH1A1
SCHEMBL4902082 0.77 HSP90AA1 (0.71) HSP90AA1TSHRLMNAACHEALDH1A1
SCHEMBL20347051 0.76 HSP90AA1 (0.77) HSP90AA1TSHRLMNAACHEALDH1A1

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 14 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-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 (3 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 HSP90AA1 427/4885TSHR 4113/4885LMNA 2815/4885
US-20150327547-A1 N-ALKYLTHIO BETA-LACTAMS, ALKYL-COENZYME A ASYMMETRIC DISULFIDES, AND ARYL-ALKYL DISULFIDES AS ANTI-BACTERIAL AGENTS COASY, SQOR, TST HSP90AA1 959/4885TSHR 4071/4885LMNA 2590/4885
US-20140235565-A1 N-ALKYLTHIO BETA-LACTAMS, ALKYL-COENZYME A ASYMMETRIC DISULFIDES, AND ARYL-ALKYL DISULFIDES AS ANTI-BACTERIAL AGENTS COASY, SQOR, TST HSP90AA1 959/4885TSHR 4071/4885LMNA 2590/4885

“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.