SCHEMBL16698129

SCHEMBL16698129

CC(C)OC(=O)c1ccccc1-c1ccccc1C(=O)Cl

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.58
PDK2 Q15119 1/20 0.48
PDCD1 Q15116 1/20 0.45
CD274 Q9NZQ7 1/20 0.45
CA12 O43570 4/20 0.44
CA1 P00915 4/20 0.44
CA2 P00918 4/20 0.44
CA7 P43166 4/20 0.44
CA9 Q16790 4/20 0.44
CA14 Q9ULX7 4/20 0.44
SCN1A P35498 1/20 0.43
SCN2A Q99250 1/20 0.43
SCN3A Q9NY46 1/20 0.43
ALDH1A1 P00352 6/20 0.43
KDM4E B2RXH2 3/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL16698016 0.84 NPC1 (0.59) NPC1PDK2PDCD1CD274CA12
SCHEMBL399125 0.81 NPC1 (0.56) NPC1PDK2PDCD1CD274CA12
SCHEMBL137907 0.81 NPC1 (0.62) NPC1PDK2PDCD1CD274CA12
SCHEMBL27636054 0.81 SCN1A (0.62) NPC1PDK2PDCD1CD274CA12
SCHEMBL993303 0.79 ALDH1A1 (0.58) CA12CA1CA2CA7CA9
SCHEMBL29688494 0.79 ALDH1A1 (0.58) CA12CA1CA2CA7CA9
SCHEMBL344758 0.77 USP2 (0.55) NPC1PDCD1CD274CA12CA1
SCHEMBL22164112 0.76 NPC1 (0.57) NPC1PDK2PDCD1CD274CA12
SCHEMBL2942817 0.75 IRAK4 (0.66) NPC1PDK2PDCD1CD274CA12
SCHEMBL6769457 0.75 NPC1 (0.61) NPC1PDK2PDCD1CD274CA12

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-20150133495-A1 Substituted Acyloxyamidines as HCV NS3/4A Inhibitors VIROCURA THERAPEUTICS INC (CA) 2015-05-14 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-20150133495-A1 Substituted Acyloxyamidines as HCV NS3/4A Inhibitors EIF2AK2, GTF3C4, GTF3C1 NPC1 922/4885PDK2 3969/4885PDCD1 3864/4885

“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.