SCHEMBL4567643

SCHEMBL4567643

O=C1OC(=O)C(c2cccs2)(c2cccs2)O1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.39
TSHR P16473 2/20 0.33
LMNA P02545 1/20 0.33
HSD17B10 Q99714 3/20 0.32
LDHA P00338 1/20 0.32
LDHB P07195 1/20 0.32
SLC6A2 P23975 1/20 0.32
PGR P06401 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
ALDH1A1 P00352 2/20 0.31
MAPT P10636 1/20 0.31
PRCP P42785 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
SLC6A3 Q01959 1/20 0.30
OPRM1 P35372 1/20 0.30
OPRL1 P41146 1/20 0.30

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
SCHEMBL9593804 0.71 CFTR (0.56) TSHRLMNAHSD17B10MEN1KMT2A
SCHEMBL10029374 0.68 CFTR (0.52) HCAR2TSHRLMNAHSD17B10MEN1
SCHEMBL12315433 0.63 CHRM2 (0.40) HCAR2TSHRLMNAMEN1KMT2A
SCHEMBL11001594 0.62 CFTR (0.41) HCAR2TSHRLMNAHSD17B10LDHA
SCHEMBL754463 0.60 SLC6A3 (0.41) HCAR2LMNASLC6A2MEN1KMT2A
SCHEMBL5340915 0.59 CHRM2 (0.35) HCAR2TSHRLMNASLC6A2MEN1
SCHEMBL5340920 0.59 CHRM2 (0.35) HCAR2TSHRLMNASLC6A2MEN1
SCHEMBL5848595 0.57 HCAR2 (0.36) HCAR2TSHRLMNAHSD17B10SLC6A2
SCHEMBL1309560 0.56 OPRM1 (0.54) TSHRLMNASLC6A2MEN1KMT2A
SCHEMBL1310931 0.56 OPRM1 (0.54) TSHRLMNASLC6A2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8680297-B2 Manufacturing process for tiotropium bromide Drug Process Licensing Assoc., LLC (US) 2014-03-25 US disclosed
US-8680297-B2 Manufacturing process for tiotropium bromide Drug Process Licensing Assoc., LLC (US) 2014-03-25 US disclosed
WO-2013050929-A1 MANUFACTURING PROCESS FOR TIOTROPIUM BROMIDE DRUG PROCESS LICENSING ASS., LLC (US) 2013-04-11 WO disclosed
US-20120123125-A1 Manufacturing process for tiotropium bromide Drug Process Licensing Associates, LLC (US) 2012-05-17 US disclosed
US-20120123125-A1 Manufacturing process for tiotropium bromide Drug Process Licensing Associates, LLC (US) 2012-05-17 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-20120123125-A1 Manufacturing process for tiotropium bromide CA5B, CA7, CHRM3 HCAR2 107/4885TSHR 1193/4885LMNA 4757/4885

“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.