SCHEMBL10147748

SCHEMBL10147748

CC(C)(C)[C@@H]1O[C@H](COC(=O)c2ccccc2)C[C@H]1OC(=O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.48
POLB P06746 1/20 0.42
PPM1B O75688 1/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNA5 P30532 1/20 0.41
CHRNA7 P36544 1/20 0.41
CHRNA4 P43681 1/20 0.41
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
BCHE P06276 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL10147760 0.91 NPC1 (0.45) NPC1POLBPPM1BCHRNB2CHRNA5
SCHEMBL19393214 0.84 NPC1 (0.51) NPC1POLBPPM1BCHRNB2CHRNA5
SCHEMBL6974230 0.84 NPC1 (0.51) NPC1POLBPPM1BCHRNB2CHRNA5
SCHEMBL23895298 0.81 NPC1 (0.46) NPC1POLBPPM1B
SCHEMBL10603926 0.81 NPC1 (0.48) NPC1POLBPPM1BCHRNB2CHRNA5
SCHEMBL10603914 0.81 NPC1 (0.48) NPC1POLBPPM1BCHRNB2CHRNA5
SCHEMBL20938370 0.81 NPC1 (0.48) NPC1POLBPPM1BCHRNB2CHRNA5
SCHEMBL9851830 0.81 NPC1 (0.48) NPC1POLBPPM1BCHRNB2CHRNA5
SCHEMBL4287430 0.79 NPC1 (0.46) NPC1POLBPPM1B
SCHEMBL4288573 0.79 NPC1 (0.46) NPC1POLBPPM1B

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-8097718-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) 2012-01-17 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
US-7560544-B2 Immunomodulators; hepatitis C virus; 5-amino-3-(O-D-ribofuranosylthiazolo[4,5-d]pyrimidine-2,7(3H,6H) dione (7-thia-8-oxoguanosine) ANADYS PHARMACEUTICALS, INC. (US) 2009-07-14 US disclosed
US-7560544-B2 Immunomodulators; hepatitis C virus; 5-amino-3-(O-D-ribofuranosylthiazolo[4,5-d]pyrimidine-2,7(3H,6H) dione (7-thia-8-oxoguanosine) ANADYS PHARMACEUTICALS, INC. (US) 2009-07-14 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-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 NPC1 1441/4885POLB 3297/4885PPM1B 1216/4885

“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.