SCHEMBL400481

SCHEMBL400481

CC(C)(C)OC(=O)n1ccc2ccsc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.41
BUB1 O43683 1/20 0.41
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 1/20 0.37
ACLY P53396 1/20 0.34
PIK3CA P42336 3/20 0.34
PIK3CD O00329 2/20 0.34
ABL1 P00519 2/20 0.34
EGFR P00533 2/20 0.34
HCK P08631 2/20 0.34
SRC P12931 2/20 0.34
KDR P35968 2/20 0.34
PIK3CB P42338 2/20 0.34
MTOR P42345 2/20 0.34
PIK3CG P48736 2/20 0.34
EPHB4 P54760 2/20 0.34
PRKDC P78527 2/20 0.34
PI4KB Q9UBF8 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
GBA1 P04062 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
SCHEMBL15615643 0.75 BCHE (0.41) BCHEBUB1HSP90AA1HSP90AB1ACLY
SCHEMBL1005846 0.74 KDM1A (0.36) L3MBTL1TSHRMEN1KMT2AMAPT
SCHEMBL29780815 0.73 BUB1 (0.39) BCHEBUB1HSP90AA1HSP90AB1PIK3CA
SCHEMBL7640977 0.72 HSP90AA1 (0.45) BCHEBUB1HSP90AA1HSP90AB1PIK3CA
SCHEMBL12532914 0.72 BUB1 (0.39) BCHEBUB1HSP90AA1HSP90AB1PIK3CA
SCHEMBL29701136 0.71 NOTUM (0.59) BCHEBUB1HSP90AA1HSP90AB1ACLY
SCHEMBL691666 0.71 NOTUM (0.59) BCHEBUB1HSP90AA1HSP90AB1ACLY
SCHEMBL10193516 0.71 BUB1 (0.40) BCHEBUB1HSP90AA1HSP90AB1ACLY
SCHEMBL28935680 0.71 L3MBTL1 (0.46) BCHEBUB1L3MBTL1HTR6
SCHEMBL28783733 0.71 KDM1A (0.41) BCHEL3MBTL1ALDH1A1HPGDTSHR

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
US-8101645-B2 Thienopyrroles and pyrrolothiazoles as new therapeutic agents ABBOTT LABORATORIES (US) 2012-01-24 US 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 BCHE 3723/4885BUB1 3825/4885HSP90AA1 1534/4885

“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.