SCHEMBL4909228

SCHEMBL4909228

CSSc1ccc(N)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 7/20 0.52
MAPK1 P28482 4/20 0.52
TSHR P16473 3/20 0.52
ALDH1A1 P00352 10/20 0.48
TDP1 Q9NUW8 7/20 0.48
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
MAPT P10636 3/20 0.44
ACHE P22303 1/20 0.41
FBP1 P09467 1/20 0.41
TP53 P04637 2/20 0.38
ALOX15 P16050 3/20 0.36
PDE7A Q13946 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
LMNA P02545 1/20 0.35
NFKB1 P19838 1/20 0.35
HTT P42858 1/20 0.35
NFKB2 Q00653 1/20 0.35

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
SCHEMBL34346 0.82 CYP3A4 (0.65) CYP3A4MAPK1TSHRALDH1A1TDP1
Hydrochloric Acid SCHEMBL3248171 0.79 CYP3A4 (0.61) CYP3A4MAPK1TSHRALDH1A1TDP1
SCHEMBL11172315 0.77 CYP3A4 (0.58) CYP3A4MAPK1TSHRALDH1A1TDP1
SCHEMBL112595 0.77
SCHEMBL3238178 0.77 CYP3A4 (0.58) CYP3A4MAPK1TSHRALDH1A1TDP1
SCHEMBL8738051 0.76 ACHE (0.68) CYP3A4MAPK1TSHRALDH1A1TDP1
SCHEMBL3891211 0.74 ACHE (0.47) TSHRALDH1A1TDP1MEN1KMT2A
Hydrochloric Acid SCHEMBL9144824 0.74 CYP3A4 (0.55) CYP3A4MAPK1TSHRALDH1A1TDP1
SCHEMBL3326593 0.74 ALDH1A1 (0.65) CYP3A4MAPK1TSHRALDH1A1TDP1
Hydrochloric Acid SCHEMBL4372246 0.74 CYP3A4 (0.55) CYP3A4MAPK1TSHRALDH1A1TDP1

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130203790-A1 SULFUR-CONTAINING COMPOUNDS AS ANTI-PROLIFERATIVE AGENTS 221076 ONTARIO INC. (CA) 2013-08-08 US claimed
WO-2013006971-A1 SULFUR-CONTAINING COMPOUNDS AS ANTI-PROLIFERATIVE AGENTS 221076 ONTARIO INC. (CA) 2013-01-17 WO claimed
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-8722937-B2 Asymmetric disulfides and aryl-alkyl disulfides as anti-bacterial agents UNIVERSITY OF SOUTH FLORIDA (US) 2014-05-13 US disclosed
US-20130203790-A1 SULFUR-CONTAINING COMPOUNDS AS ANTI-PROLIFERATIVE AGENTS 221076 ONTARIO INC. (CA) 2013-08-08 US disclosed
US-20130203790-A1 SULFUR-CONTAINING COMPOUNDS AS ANTI-PROLIFERATIVE AGENTS 221076 ONTARIO INC. (CA) 2013-08-08 US disclosed
WO-2013006971-A1 SULFUR-CONTAINING COMPOUNDS AS ANTI-PROLIFERATIVE AGENTS 221076 ONTARIO INC. (CA) 2013-01-17 WO disclosed
WO-2013006971-A1 SULFUR-CONTAINING COMPOUNDS AS ANTI-PROLIFERATIVE AGENTS 221076 ONTARIO INC. (CA) 2013-01-17 WO 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
WO-2008059130-A1 THIONUCLEOSIDES AND PHARMACEUTICAL APPLICATIONS UNIVERSITE JOSEPH FOURIER (GRENOBLE 1) (FR) 2008-05-22 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 (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 CYP3A4 2055/4885MAPK1 2416/4885TSHR 4113/4885
US-20130203790-A1 SULFUR-CONTAINING COMPOUNDS AS ANTI-PROLIFERATIVE AGENTS MKI67, TST, PCNA CYP3A4 4681/4885MAPK1 2268/4885TSHR 3453/4885
US-20150327547-A1 N-ALKYLTHIO BETA-LACTAMS, ALKYL-COENZYME A ASYMMETRIC DISULFIDES, AND ARYL-ALKYL DISULFIDES AS ANTI-BACTERIAL AGENTS COASY, SQOR, TST CYP3A4 1922/4885MAPK1 3752/4885TSHR 4071/4885
US-20140235565-A1 N-ALKYLTHIO BETA-LACTAMS, ALKYL-COENZYME A ASYMMETRIC DISULFIDES, AND ARYL-ALKYL DISULFIDES AS ANTI-BACTERIAL AGENTS COASY, SQOR, TST CYP3A4 1922/4885MAPK1 3752/4885TSHR 4071/4885

“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.