SCHEMBL6984581

SCHEMBL6984581

CC(=O)OC[C@@H](COC(=O)c1ccccc1)O[C@H]([C@@H](C)OC(=O)c1ccccc1)n1c(=O)sc2cnc(N)nc21

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.37
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
ADRA1A P35348 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
POLB P06746 1/20 0.33
TLR7 Q9NYK1 1/20 0.32
ADRB2 P07550 1/20 0.31
ADRB1 P08588 1/20 0.31
ADRB3 P13945 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL10181868 1.00 HSD17B10 (0.37) HSD17B10ALDH1A1KDM4EHPGDADRA1A
SCHEMBL14724993 0.91 LMNA (0.33) HSD17B10POLBTLR7
SCHEMBL6984567 0.85 ALDH1A1 (0.39) HSD17B10ALDH1A1KDM4EHPGDADRA1A
SCHEMBL10183264 0.85 ALDH1A1 (0.39) HSD17B10ALDH1A1KDM4EHPGDADRA1A
SCHEMBL10181491 0.79 POLB (0.40) HSD17B10ALDH1A1POLBTLR7ADRB2
SCHEMBL18948300 0.73 KDM4E (0.42) HSD17B10ALDH1A1KDM4EHPGDADRA1A
SCHEMBL14725022 0.71 KDM4E (0.31) HSD17B10ALDH1A1KDM4EHPGDADRA1A
SCHEMBL6983873 0.69 ALDH1A1 (0.33) HSD17B10ALDH1A1KDM4EHPGDADRA1A
SCHEMBL6985619 0.69 ALDH1A1 (0.46) HSD17B10ALDH1A1POLBADRB2ADRB1
SCHEMBL10181949 0.68 ALDH1A1 (0.44) HSD17B10ALDH1A1POLBADRB2ADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-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 HSD17B10 2583/4885ALDH1A1 340/4885KDM4E 1730/4885

“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.