SCHEMBL2007509

SCHEMBL2007509

CC(C)(C)OC(=O)N(Br)c1cccs1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.37
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.33
MAPT P10636 1/20 0.33
RIPK1 Q13546 1/20 0.33
GPR119 Q8TDV5 1/20 0.33
TSHR P16473 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
CHRM2 P08172 2/20 0.33
CHRM1 P11229 2/20 0.33
CHRM3 P20309 2/20 0.33
PAX8 Q06710 1/20 0.33
BCHE P06276 1/20 0.33
ALOX5 P09917 1/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
GABRA1 P14867 1/20 0.32

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
SCHEMBL1163820 0.82 PAX8 (0.41) GBA1ALDH1A1SMN1; SMN2MAPTRIPK1
SCHEMBL5337380 0.81 GBA1 (0.37) GBA1ALDH1A1SMN1; SMN2MAPTRIPK1
SCHEMBL28716135 0.78 USP30 (0.40) GBA1ALDH1A1SMN1; SMN2MAPTGPR119
SCHEMBL10627220 0.78 ALOX5 (0.38) GBA1ALDH1A1SMN1; SMN2MAPTRIPK1
SCHEMBL27843014 0.77 GSK3B (0.40) GBA1ALDH1A1SMN1; SMN2CHRM2CHRM1
SCHEMBL28713807 0.77 GBA1 (0.35) GBA1ALDH1A1SMN1; SMN2MAPTRIPK1
SCHEMBL1618720 0.76 CHRM2 (0.40) GBA1ALDH1A1RIPK1TSHRCTSS
SCHEMBL7158576 0.76 CHRM2 (0.40) GBA1ALDH1A1RIPK1TSHRCTSS
SCHEMBL7290370 0.76 GBA1 (0.36) GBA1ALDH1A1TSHRCTSSCTSK
SCHEMBL1981228 0.76 GBA1 (0.36) GBA1ALDH1A1TSHRCTSSCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011079105-A1 NOVEL THIENOPYRROLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-30 WO disclosed
US-20110152243-A1 NOVEL THIENOPYRROLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-23 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-20110152243-A1 NOVEL THIENOPYRROLE COMPOUNDS TPMT, TSLP, THPO GBA1 2394/4885ALDH1A1 297/4885SMN1; SMN2 2548/4885

“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.