SCHEMBL6974096

SCHEMBL6974096

C=C(C)O[C@@H]1C(=C)[C@@H](COC(=O)c2ccccc2)O[C@H]1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNA5 P30532 1/20 0.40
CHRNA7 P36544 1/20 0.40
CHRNA4 P43681 1/20 0.40
ALDH1A1 P00352 2/20 0.39
TDP1 Q9NUW8 2/20 0.38
KMT2A Q03164 2/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A3 Q01959 1/20 0.38
LMNA P02545 1/20 0.38
NPC1 O15118 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
PPM1B O75688 1/20 0.36
TSHR P16473 1/20 0.36
PTPN1 P18031 1/20 0.36
ACP1 P24666 1/20 0.36
CDC25B P30305 1/20 0.36
MAPK1 P28482 1/20 0.35
HIF1A Q16665 1/20 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
SCHEMBL12112089 0.92 TRPM8 (0.41) TRPM8CHRNB2CHRNA5CHRNA7CHRNA4
SCHEMBL10147727 0.86 CHRNB2 (0.39) TRPM8CHRNB2CHRNA5CHRNA7CHRNA4
SCHEMBL12112034 0.80 TRPM8 (0.41) TRPM8CHRNB2CHRNA5CHRNA7CHRNA4
SCHEMBL10148079 0.78 ALDH1A1 (0.38) TRPM8CHRNB2CHRNA5CHRNA7CHRNA4
SCHEMBL6974214 0.74 NPC1 (0.47) CHRNB2CHRNA5CHRNA7CHRNA4ALDH1A1
SCHEMBL27195261 0.73 TDP1 (0.42) CHRNB2CHRNA5CHRNA7CHRNA4ALDH1A1
SCHEMBL6969975 0.73 ALDH1A1 (0.43) CHRNB2CHRNA5CHRNA7CHRNA4ALDH1A1
SCHEMBL12959081 0.72 ALDH1A1 (0.57) CHRNB2CHRNA5CHRNA7CHRNA4ALDH1A1
Acetic Acid SCHEMBL30812592 0.71 ALDH1A1 (0.41) TRPM8CHRNB2CHRNA5CHRNA7CHRNA4
SCHEMBL22915735 0.70 ALDH1A1 (0.59) CHRNB2CHRNA5CHRNA7CHRNA4ALDH1A1

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-8883758-B2 3,5-disubstituted and 3,5,7-trisubstituted-3H-oxazolo and 3H-thiazolo[4,5-d]pyrimidin-2-one compounds and prodrugs thereof ANADYS PHARMACEUTICALS, INC. (US) 2014-11-11 US disclosed
US-20130259831-A1 3,5-Disubstituted and 3,5,7-Trisubstituted-3H-Oxazolo and 3H-Thiazolo[4,5-d]pyrimidin-2-one Compounds and Prodrugs Thereof ANADYS PHARMACEUTICALS, INC. (US) 2013-10-03 US disclosed
US-20120121541-A1 3,5-DISUBSTITUTED AND 3,5,7-TRISUBSTITUTED-3H-OXAZOLO AND 3H-THIAZOLO[4,5-D]PYRIMIDIN-2-ONE COMPOUNDS AND PRODRUGS THEREOF ANADYS PHARMACEUTICALS, INC. (US) 2012-05-17 US disclosed
US-20110275589-A1 3,5-DISUBSTITUTED AND 3,5,7-TRISUBSTITUTED-3H-OXAZOLO AND 3H-THIAZOLO[4,5-d]PYRIMIDIN-2-ONE COMPOUNDS AND PRODRUGS THEREOF ANADYS PHARMACEUTICALS, INC. (US) 2011-11-10 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 (3 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-20130259831-A1 3,5-Disubstituted and 3,5,7-Trisubstituted-3H-Oxazolo and 3H-Thiazolo[4,5-d]pyrimidin-2-one Compounds and Prodrugs Thereof TLR5, THPO, IDO1 TRPM8 1435/4885CHRNB2 4614/4885CHRNA5 3417/4885
US-20110275589-A1 3,5-DISUBSTITUTED AND 3,5,7-TRISUBSTITUTED-3H-OXAZOLO AND 3H-THIAZOLO[4,5-d]PYRIMIDIN-2-ONE COMPOUNDS AND PRODRUGS THEREOF TLR5, THPO, IDO1 TRPM8 1435/4885CHRNB2 4614/4885CHRNA5 3417/4885
US-20120121541-A1 3,5-DISUBSTITUTED AND 3,5,7-TRISUBSTITUTED-3H-OXAZOLO AND 3H-THIAZOLO[4,5-D]PYRIMIDIN-2-ONE COMPOUNDS AND PRODRUGS THEREOF TLR5, THPO, IDO1 TRPM8 1435/4885CHRNB2 4614/4885CHRNA5 3417/4885

“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.