SCHEMBL4968147

SCHEMBL4968147

O=C(O)C(Oc1cccs1)c1cccs1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.44
CES2 O00748 2/20 0.43
CES1 P23141 2/20 0.43
KEAP1 Q14145 1/20 0.43
CYP2C19 P33261 2/20 0.42
DAO P14920 1/20 0.39
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
MMP12 P39900 1/20 0.37
SLC1A3 P43003 1/20 0.37
SLC1A2 P43004 1/20 0.37
SLC1A1 P43005 1/20 0.37
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
HPGDS O60760 1/20 0.35
POLB P06746 1/20 0.35
NPC1 O15118 3/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35

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
SCHEMBL21881381 0.84 PPARA (0.47) CYP2C19PPARGPPARAPOLBALDH1A1
SCHEMBL5934583 0.84 PPARG (0.43) ALOX5CES2CES1KEAP1CYP2C19
SCHEMBL6162434 0.84 PPARA (0.47) CYP2C19PPARGPPARAPOLBALDH1A1
SCHEMBL24328836 0.79 ALOX5 (0.45) ALOX5CES2CES1KEAP1CYP2C19
SCHEMBL11407054 0.79 ALOX5 (0.45) ALOX5CES2CES1KEAP1CYP2C19
SCHEMBL12532108 0.79 ALOX5 (0.45) ALOX5CES2CES1KEAP1CYP2C19
SCHEMBL7080315 0.78 CYP2C19 (0.42) ALOX5CES2CES1CYP2C19DAO
SCHEMBL4560908 0.78 SLC1A3 (0.44) ALOX5CES2CES1CYP2C19DAO
SCHEMBL3740253 0.78 KMT2A (0.51) ALOX5CYP2C19DAOMMP1MMP2
SCHEMBL6044891 0.76 SLC1A3 (0.38) ALOX5CES2CES1KEAP1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1966196-A2 PURE AND STABLE TIOTROPIUM BROMIDE Sicor, Inc. (US) 2008-09-10 EP claimed
US-20070167480-A1 Pure and stable tiotropium bromide SICOR INC. (US) 2007-07-19 US claimed
WO-2007075838-A2 PURE AND STABLE TIOTROPIUM BROMIDE SICOR INC. (US) 2007-07-05 WO claimed
CN-101360744-A Pure and stable tiotropium bromide SICOR INC (US) 2009-02-04 CN disclosed
EP-1966196-A2 PURE AND STABLE TIOTROPIUM BROMIDE Sicor, Inc. (US) 2008-09-10 EP disclosed
EP-1966196-A2 PURE AND STABLE TIOTROPIUM BROMIDE Sicor, Inc. (US) 2008-09-10 EP disclosed
WO-2007075838-A3 PURE AND STABLE TIOTROPIUM BROMIDE SICOR INC (US) 2007-08-16 WO disclosed
US-20070167480-A1 Pure and stable tiotropium bromide SICOR INC. (US) 2007-07-19 US disclosed
US-20070167480-A1 Pure and stable tiotropium bromide SICOR INC. (US) 2007-07-19 US disclosed
WO-2007075838-A2 PURE AND STABLE TIOTROPIUM BROMIDE SICOR INC. (US) 2007-07-05 WO disclosed
WO-2007075838-A2 PURE AND STABLE TIOTROPIUM BROMIDE SICOR INC. (US) 2007-07-05 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-20070167480-A1 Pure and stable tiotropium bromide THOP1, GUCY1B2, HSD11B2 ALOX5 165/4885CES2 4304/4885CES1 3014/4885

“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.