Sugi Predict

Sugi Predict / Compounds / SCHEMBL6974214

SCHEMBL6974214

SCHEMBL6974214

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

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.47
▸ POLB P06746 1/20 0.41
▸ PPM1B O75688 1/20 0.41
▸ 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 1/20 0.39
▸ KMT2A Q03164 2/20 0.38
▸ SLC6A2 P23975 1/20 0.38
▸ SLC6A3 Q01959 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ LMNA P02545 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ CES2 O00748 1/20 0.37

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
SCHEMBL13871567 0.90 NPC1 (0.49) NPC1POLBPPM1BCHRNB2CHRNA5
SCHEMBL6974230 0.90 NPC1 (0.51) NPC1POLBPPM1BCHRNB2CHRNA5
SCHEMBL19393214 0.90 NPC1 (0.51) NPC1POLBPPM1BCHRNB2CHRNA5
SCHEMBL10147760 0.85 NPC1 (0.45) NPC1POLBPPM1BCHRNB2CHRNA5
SCHEMBL25703727 0.84 NPC1 (0.48) NPC1POLBPPM1BCHRNB2CHRNA5
SCHEMBL20457647 0.81 NPC1 (0.54) NPC1POLBPPM1BCHRNB2CHRNA5
SCHEMBL21116324 0.81 NPC1 (0.54) NPC1POLBPPM1BCHRNB2CHRNA5
SCHEMBL6973373 0.81 ALDH1A1 (0.38) ALDH1A1TDP1
SCHEMBL19190305 0.79 NPC1 (0.52) NPC1POLBPPM1BCHRNB2CHRNA5
SCHEMBL18573969 0.79 NPC1 (0.52) NPC1POLBPPM1BCHRNB2CHRNA5

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 3 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 NPC1 1441/4885POLB 3297/4885PPM1B 1216/4885
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 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.