SCHEMBL4908472

SCHEMBL4908472

CC(C)SSc1ccc(F)c(F)c1

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 1/20 0.33
CHRNA1 P02708 1/20 0.31
CHRNG P07510 1/20 0.31
CHRNB1 P11230 1/20 0.31
CHRNB2 P17787 1/20 0.31
SLC6A2 P23975 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA4 P43681 1/20 0.31
SLC6A3 Q01959 1/20 0.31
CHRND Q07001 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
DHFR P00374 2/20 0.31
NFE2L2 Q16236 1/20 0.31
CES2 O00748 1/20 0.30
CES1 P23141 1/20 0.30

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
SCHEMBL14113988 0.81 TXN (0.37) KDM4EALDH1A1
SCHEMBL4908425 0.79 DDB1 (0.39) DDB1CRBNALDH1A1DHFRNFE2L2
SCHEMBL4899169 0.76 DDB1 (0.35) DDB1CRBNALDH1A1DHFRNFE2L2
SCHEMBL4908477 0.72 ALDH1A1 (0.34) ALDH1A1
SCHEMBL4912458 0.71 FBP1 (0.33) DDB1CRBNALDH1A1DHFRNFE2L2
SCHEMBL645965 0.70 ALDH1A1 (0.38) DDB1CRBNKDM4EALDH1A1DHFR
SCHEMBL34470857 0.69 ALDH1A1 (0.36) KDM4EALDH1A1
SCHEMBL24952543 0.69 GRM5 (0.42) DDB1CRBNDHFRNFE2L2CES2
SCHEMBL4904139 0.68 DDB1 (0.31) DDB1CRBN
SCHEMBL14113992 0.66 AR (0.34)

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-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 DDB1 2877/4885CRBN 3829/4885CHRNA1 4463/4885
US-20150327547-A1 N-ALKYLTHIO BETA-LACTAMS, ALKYL-COENZYME A ASYMMETRIC DISULFIDES, AND ARYL-ALKYL DISULFIDES AS ANTI-BACTERIAL AGENTS COASY, SQOR, TST DDB1 1708/4885CRBN 2135/4885CHRNA1 3339/4885
US-20140235565-A1 N-ALKYLTHIO BETA-LACTAMS, ALKYL-COENZYME A ASYMMETRIC DISULFIDES, AND ARYL-ALKYL DISULFIDES AS ANTI-BACTERIAL AGENTS COASY, SQOR, TST DDB1 1708/4885CRBN 2135/4885CHRNA1 3339/4885

“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.