SCHEMBL437284

SCHEMBL437284

CC(C)(C)OC(=O)N(Br)c1ccsc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA4 P43681 1/20 0.34
MT-CO2 P00403 1/20 0.34
GPR119 Q8TDV5 1/20 0.34
ALOX5 P09917 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
CHRM2 P08172 6/20 0.33
CHRM1 P11229 6/20 0.33
CHRM3 P20309 6/20 0.33
PAX8 Q06710 1/20 0.33
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
LCK P06239 1/20 0.32
FYN P06241 1/20 0.32
DAO P14920 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 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
SCHEMBL21422867 0.82 PAX8 (0.44) CHRNB2CHRNB4CHRNA3CHRNA4MT-CO2
SCHEMBL12046629 0.81 ALOX5 (0.36) CHRNB2CHRNB4CHRNA3CHRNA4MT-CO2
SCHEMBL28936796 0.78 ALOX5 (0.41) CHRNB2CHRNB4CHRNA3CHRNA4GPR119
SCHEMBL28936906 0.77 GPR119 (0.32) CHRNB2CHRNB4CHRNA3CHRNA4GPR119
SCHEMBL369629 0.76 CTSS (0.38) CHRNB2CHRNB4CHRNA3CHRNA4GPR119
SCHEMBL5898287 0.76 CHRM2 (0.40) CHRNB2CHRNB4CHRNA3CHRNA4CTSS
SCHEMBL3351157 0.76 CHRM2 (0.40) CHRNB2CHRNB4CHRNA3CHRNA4CTSS
SCHEMBL9057454 0.75 ALOX5 (0.38) CHRNB2CHRNB4CHRNA3CHRNA4GPR119
SCHEMBL3610281 0.75 ALOX5 (0.38) CHRNB2CHRNB4CHRNA3CHRNA4GPR119
SCHEMBL1007329 0.75 MT-CO2 (0.51) CHRNB2CHRNB4CHRNA3CHRNA4MT-CO2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8101645-B2 Thienopyrroles and pyrrolothiazoles as new therapeutic agents ABBOTT LABORATORIES (US) 2012-01-24 US disclosed
EP-2268281-A1 THIENOPYRROLES AND PYRROLOTHIAZOLES AS NEW THERAPEUTIC AGENTS Abbott Laboratories (US) 2011-01-05 EP disclosed
WO-2009102462-A1 THIENOPYRROLES AND PYRROLOTHIAZOLES AS NEW THERAPEUTIC AGENTS ABBOTT LABORATORIES (US) 2009-08-20 WO disclosed
US-20090209609-A1 Thienopyrroles and pyrrolothiazoles as new therapeutic agents ABBVIE INC. 2009-08-20 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 (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-20090209609-A1 Thienopyrroles and pyrrolothiazoles as new therapeutic agents HRH2, HRH1, TSLP CHRNB2 2850/4885CHRNB4 3714/4885CHRNA3 3291/4885

“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.