Sugi Predict

Sugi Predict / Compounds / SCHEMBL6969975

SCHEMBL6969975

SCHEMBL6969975

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.43
▸ POLB P06746 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ USP2 O75604 1/20 0.39
▸ TSHR P16473 2/20 0.39
▸ GAA P10253 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ LMNA P02545 3/20 0.38
▸ TDP1 Q9NUW8 2/20 0.38
▸ SLC6A2 P23975 1/20 0.38
▸ SLC6A3 Q01959 1/20 0.38
▸ CHRNB2 P17787 1/20 0.37
▸ CHRNA5 P30532 1/20 0.37
▸ CHRNA7 P36544 1/20 0.37
▸ CHRNA4 P43681 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ HTT P42858 1/20 0.36
▸ PPM1B O75688 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
SCHEMBL20691411 0.90 POLB (0.47) ALDH1A1POLBKMT2AMEN1USP2
SCHEMBL13274190 0.87 POLB (0.46) ALDH1A1POLBKMT2AMEN1USP2
SCHEMBL12808136 0.87 POLB (0.46) ALDH1A1POLBKMT2AMEN1USP2
SCHEMBL10147728 0.86 ALDH1A1 (0.42) ALDH1A1POLBKMT2AMEN1USP2
SCHEMBL16926957 0.81 POLB (0.49) ALDH1A1POLBKMT2AMEN1USP2
SCHEMBL14208949 0.81 POLB (0.49) ALDH1A1POLBKMT2AMEN1USP2
SCHEMBL25509971 0.81 POLB (0.49) ALDH1A1POLBKMT2AMEN1USP2
SCHEMBL14931047 0.81 POLB (0.49) ALDH1A1POLBKMT2AMEN1USP2
SCHEMBL8389853 0.81 POLB (0.49) ALDH1A1POLBKMT2AMEN1USP2
SCHEMBL25510429 0.81 POLB (0.49) ALDH1A1POLBKMT2AMEN1USP2

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 ALDH1A1 340/4885POLB 3297/4885KMT2A 3532/4885
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 ALDH1A1 340/4885POLB 3297/4885KMT2A 3532/4885

“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.