SCHEMBL4908477

SCHEMBL4908477

Cc1ccc(SSC(C)C)cc1C

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 2/20 0.33
HPGD P15428 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP1A2 P05177 3/20 0.33
CYP3A4 P08684 3/20 0.33
CYP2D6 P10635 3/20 0.33
CYP2C9 P11712 3/20 0.33
NPC1 O15118 1/20 0.33
CYP2C19 P33261 1/20 0.33
RAB9A P51151 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
HTR1A P08908 2/20 0.31
HTR3A P46098 2/20 0.31

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
SCHEMBL4907753 0.81 ALDH1A1 (0.43) ALDH1A1LMNAMAPTHPGDOPRM1
SCHEMBL14154712 0.80 TXN (0.38) ALDH1A1LMNAMAPTHPGDOPRM1
SCHEMBL10064899 0.77 AR (0.42) ALDH1A1LMNAMAPTHPGDOPRM1
SCHEMBL4908681 0.75 CYP3A4 (0.39) ALDH1A1LMNAMAPTHPGDOPRM1
SCHEMBL4908472 0.72 DDB1 (0.33) ALDH1A1
SCHEMBL30832958 0.71 ALDH1A1 (0.50) ALDH1A1LMNAMAPTHPGDOPRM1
SCHEMBL47860 0.71 ALDH1A1 (0.50) ALDH1A1LMNAMAPTHPGDOPRM1
SCHEMBL4908030 0.70 MAPT (0.36) ALDH1A1MAPTHPGDOPRM1OPRD1
SCHEMBL20345294 0.69 ALDH1A1 (0.53) ALDH1A1LMNAMAPTHPGDOPRM1
SCHEMBL8442226 0.69 MAPT (0.50) ALDH1A1LMNAMAPTHPGDOPRM1

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 12 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-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

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 ALDH1A1 1205/4885LMNA 2815/4885MAPT 3880/4885
US-20150327547-A1 N-ALKYLTHIO BETA-LACTAMS, ALKYL-COENZYME A ASYMMETRIC DISULFIDES, AND ARYL-ALKYL DISULFIDES AS ANTI-BACTERIAL AGENTS COASY, SQOR, TST ALDH1A1 442/4885LMNA 2590/4885MAPT 3860/4885
US-20140235565-A1 N-ALKYLTHIO BETA-LACTAMS, ALKYL-COENZYME A ASYMMETRIC DISULFIDES, AND ARYL-ALKYL DISULFIDES AS ANTI-BACTERIAL AGENTS COASY, SQOR, TST ALDH1A1 442/4885LMNA 2590/4885MAPT 3860/4885

“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.