SCHEMBL16944293

SCHEMBL16944293

N[C@@H](Cc1ccc(O)cc1)C(=O)OCC(=O)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 2/20 0.55
HDAC8 Q9BY41 2/20 0.47
ESR1 P03372 1/20 0.47
ESR2 Q92731 1/20 0.47
ALPI P09923 1/20 0.46
PKM P14618 1/20 0.46
PTGS1 P23219 1/20 0.46
XIAP P98170 1/20 0.46
HSD11B1 P28845 2/20 0.44
TYR P14679 1/20 0.44
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 2/20 0.43
HTT P42858 1/20 0.43
HPGD P15428 1/20 0.42
ALDH1A1 P00352 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL7947874 0.85 ESR1 (0.60) SLC7A5ESR1ESR2PTGS1NPC1
SCHEMBL16845308 0.83 ALDH1A1 (0.57) HDAC8NPC1RAB9ALMNAMAPT
SCHEMBL630209 0.82 SLC7A5 (0.62) SLC7A5HDAC8ALPIPKMPTGS1
SCHEMBL26023571 0.82 SLC7A5 (0.62) SLC7A5HDAC8ALPIPKMPTGS1
SCHEMBL121369 0.82 SLC7A5 (0.62) SLC7A5HDAC8ALPIPKMPTGS1
SCHEMBL16080193 0.82 SLC7A5 (0.62) SLC7A5HDAC8ALPIPKMPTGS1
SCHEMBL25982889 0.82 SLC7A5 (0.62) SLC7A5HDAC8ALPIPKMPTGS1
SCHEMBL8332481 0.81 SLC7A5 (0.57) SLC7A5HDAC8ESR1ESR2ALPI
Hydrochloric Acid SCHEMBL9831421 0.81 SLC7A5 (0.60) SLC7A5HDAC8ALPIPKMPTGS1
Hydrochloric Acid SCHEMBL9831417 0.81 SLC7A5 (0.60) SLC7A5HDAC8ALPIPKMPTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9266853-B2 Orally available viridiofungin derivative possessing anti-HCV activity CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-02-23 US disclosed
US-20150210666-A1 ORALLY AVAILABLE VIRIDIOFUNGIN DERIVATIVE POSSESSING ANTI-HCV ACTIVITY CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-07-30 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-20150210666-A1 ORALLY AVAILABLE VIRIDIOFUNGIN DERIVATIVE POSSESSING ANTI-HCV ACTIVITY ZC3HAV1, SLC10A1, CYP51A1 SLC7A5 1579/4885HDAC8 1577/4885ESR1 4824/4885

“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.