SCHEMBL4771811

SCHEMBL4771811

NC(=O)C(=O)c1ccsc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.74
CES1 P23141 1/20 0.74
LCK P06239 1/20 0.58
FYN P06241 1/20 0.58
DAO P14920 1/20 0.58
HDAC1 Q13547 1/20 0.52
HPGD P15428 1/20 0.44
HSD11B1 P28845 1/20 0.40
ADRA2A P08913 2/20 0.39
ADRA2B P18089 2/20 0.39
ADRA2C P18825 2/20 0.39
MAPT P10636 3/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ALOX5 P09917 2/20 0.39
KCNK3 O14649 1/20 0.39
KCNK9 Q9NPC2 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
CA1 P00915 1/20 0.38

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
SCHEMBL8182714 0.85 CES2 (1.00) CES2CES1LCKFYNDAO
SCHEMBL826805 0.81
Hydrochloric Acid SCHEMBL8804487 0.79
Hydrochloric Acid SCHEMBL17164880 0.79 CES2 (0.62) CES2CES1LCKFYNDAO
SCHEMBL3957096 0.79 CES2 (0.77) CES2CES1LCKFYNDAO
SCHEMBL1384047 0.78 CES2 (0.56) CES2CES1LCKFYNDAO
Water SCHEMBL27497754 0.77 CES2 (0.74) CES2CES1LCKFYNDAO
SCHEMBL28495546 0.77 CES2 (0.74) CES2CES1LCKFYNDAO
SCHEMBL2166098 0.75 CES2 (0.71) CES2CES1LCKFYNDAO
SCHEMBL5069541 0.74 CES2 (0.68) CES2CES1LCKFYNDAO

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
CN-109749058-B Anthracene bithiophene imide polymer and preparation method and application thereof 中国科学院化学研究所 2020-12-01 CN disclosed
CN-109749058-A A kind of anthra Dithiophene imide polymer and the preparation method and application thereof 中国科学院化学研究所 2019-05-14 CN disclosed
EP-1636217-B1 2-IMIDAZO-BENZOTHIAZOLES AS ADENOSINE RECEPTOR LIGANDS HOFFMANN LA ROCHE (CH) 2008-09-03 EP disclosed
EP-1450796-B1 BENZOTHIAZOLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-04-09 EP disclosed
US-7122545-B2 Imidazo-benzothiazoles HOFFMANN-LA ROCHE INC. (US) 2006-10-17 US disclosed
CN-1780831-A 2-Imidazole-Benzothiazoles as Adenosine Receptor Ligands HOFFMANN LA ROCHE (CH) 2006-05-31 CN disclosed
EP-1636217-A1 2-IMIDAZO-BENZOTHIAZOLES AS ADENOSINE RECEPTOR LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2006-03-22 EP disclosed
WO-2004101558-A1 2-IMIDAZO-BENZOTHIAZOLES AS ADENOSINE RECEPTOR LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2004-11-25 WO disclosed
US-20040229862-A1 Imidazo-benzothiazoles F. HOFFMAN-LA ROCHE AG (CH) 2004-11-18 US disclosed
US-6596718-B1 A compound of formula I has a good affinity to the A2A receptor and is useful for the treatment of diseases mediated by this receptor. HOFFMANN-LA ROCHE INC. 2003-07-22 US disclosed
EP-1299377-A2 SPLA2 INHIBITORS ELI LILLY AND COMPANY (US) 2003-04-09 EP disclosed
WO-2002000641-A2 SPLA2 INHIBITORS ELI LILLY AND COMPANY (US) 2002-01-03 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 (1 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-20040229862-A1 Imidazo-benzothiazoles ADORA1, ADORA3, ADORA2A CES2 2869/4885CES1 1785/4885LCK 4151/4885

“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.